Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66578
- Core Entity Id
- 129227
- Source Entity Count
- 1
- Preferred Name
- 1-acetylpyrrolidine
- Name En
- Pubchem Id
- 77650
- Smiles Canonical
- CC(=O)N1CCCC1
- Molecular Formula
- C6H11NO
- Molecular Weight
- 113.0800
- Inchikey
- LNWWQYYLZVZXKS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 20.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-acetylpyrrolidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-acetylpyrrolidine
Itcmdb Generated
ITX-INGREDIENT-6317A05B5A42
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
113.080
Molecular Formula
C6H11NO
Fda Maximum Daily Dose (Fdamdd)
0.086
Quantitative Estimate Of Drug Likeness（Qed）
0.451