1-heptanoylpyrrolidin-2-one

C11H19NO2 — CID 14278922

IUPAC1-heptanoylpyrrolidin-2-one
SMILESCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-7-10(13)12-9-6-8-11(12)14/h2-9H2,1H3
InChIKeyUKOCZPDLCSNUBS-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.11
Rot. Bonds5

About 1-heptanoylpyrrolidin-2-one

1-heptanoylpyrrolidin-2-one (PubChem CID 14278922) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-heptanoylpyrrolidin-2-one.

Molecular Properties

Compound Name1-heptanoylpyrrolidin-2-one
PubChem CID14278922
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-heptanoylpyrrolidin-2-one
SMILESCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-7-10(13)12-9-6-8-11(12)14/h2-9H2,1H3
InChIKeyUKOCZPDLCSNUBS-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-heptanoylpyrrolidin-2-one?
The IUPAC name of 1-heptanoylpyrrolidin-2-one (CID 14278922) is 1-heptanoylpyrrolidin-2-one.
What is the SMILES notation for 1-heptanoylpyrrolidin-2-one?
The canonical SMILES for 1-heptanoylpyrrolidin-2-one is CCCCCCC(=O)N1CCCC1=O.
What is the InChIKey of 1-heptanoylpyrrolidin-2-one?
The InChIKey is UKOCZPDLCSNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-4-5-7-10(13)12-9-6-8-11(12)14/h2-9H2,1H3.
What are the key properties of 1-heptanoylpyrrolidin-2-one?
1-heptanoylpyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptanoylpyrrolidin-2-one is sourced from PubChem (CID 14278922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).