3-pentylpyrrol-2-one

C9H13NO — CID 141007598

IUPAC3-pentylpyrrol-2-one
SMILESCCCCCC1=CC=NC1=O
InChIInChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-10-9(8)11/h6-7H,2-5H2,1H3
InChIKeyVHMJPSUJWBCGML-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.10
Rot. Bonds4

About 3-pentylpyrrol-2-one

3-pentylpyrrol-2-one (PubChem CID 141007598) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-pentylpyrrol-2-one.

Molecular Properties

Compound Name3-pentylpyrrol-2-one
PubChem CID141007598
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-pentylpyrrol-2-one
SMILESCCCCCC1=CC=NC1=O
InChIInChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-10-9(8)11/h6-7H,2-5H2,1H3
InChIKeyVHMJPSUJWBCGML-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-4-methylpyrrol-2-one
CID 20504618
3-Cyclohex-3-en-1-ylpyrrol-2-one
CID 67765123
4-Pentylpyridine-2,3-dione
CID 77379890
6-methyl-5H-isoquinolin-1-one
CID 91415570
(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
CID 126707093
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
3-Octylpyrrol-2-one
CID 140967878
3-Butylpyrrol-2-one
CID 140993562
3-Dodecylazepin-2-one
CID 141035638
3-(2-Methylpropyl)pyrrol-2-one
CID 141393042
2-propyl-2H-pyrrole-3-carboxamide
CID 142051090
3-Hexadecylpyrrol-2-one
CID 150024905

Frequently Asked Questions

What is the IUPAC name of 3-pentylpyrrol-2-one?
The IUPAC name of 3-pentylpyrrol-2-one (CID 141007598) is 3-pentylpyrrol-2-one.
What is the SMILES notation for 3-pentylpyrrol-2-one?
The canonical SMILES for 3-pentylpyrrol-2-one is CCCCCC1=CC=NC1=O.
What is the InChIKey of 3-pentylpyrrol-2-one?
The InChIKey is VHMJPSUJWBCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-10-9(8)11/h6-7H,2-5H2,1H3.
What are the key properties of 3-pentylpyrrol-2-one?
3-pentylpyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpyrrol-2-one is sourced from PubChem (CID 141007598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).