3-butylpyrrol-2-one

C8H11NO — CID 140993562

IUPAC3-butylpyrrol-2-one
SMILESCCCCC1=CC=NC1=O
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h5-6H,2-4H2,1H3
InChIKeyHHJZXLMULMWNGQ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.71
Rot. Bonds3

About 3-butylpyrrol-2-one

3-butylpyrrol-2-one (PubChem CID 140993562) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-butylpyrrol-2-one.

Molecular Properties

Compound Name3-butylpyrrol-2-one
PubChem CID140993562
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-butylpyrrol-2-one
SMILESCCCCC1=CC=NC1=O
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h5-6H,2-4H2,1H3
InChIKeyHHJZXLMULMWNGQ-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butyl-4-methylpyrrol-2-one
CID 20504618
3-Cyclohex-3-en-1-ylpyrrol-2-one
CID 67765123
2-But-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
CID 91029792
6-methyl-5H-isoquinolin-1-one
CID 91415570
ethane;5-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370277
(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-Ethylpyrrol-2-one
CID 140974856
3-Pentylpyrrol-2-one
CID 141007598
3-(2-Methylpropyl)pyrrol-2-one
CID 141393042
2-propyl-2H-pyrrole-3-carboxamide
CID 142051090

Frequently Asked Questions

What is the IUPAC name of 3-butylpyrrol-2-one?
The IUPAC name of 3-butylpyrrol-2-one (CID 140993562) is 3-butylpyrrol-2-one.
What is the SMILES notation for 3-butylpyrrol-2-one?
The canonical SMILES for 3-butylpyrrol-2-one is CCCCC1=CC=NC1=O.
What is the InChIKey of 3-butylpyrrol-2-one?
The InChIKey is HHJZXLMULMWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h5-6H,2-4H2,1H3.
What are the key properties of 3-butylpyrrol-2-one?
3-butylpyrrol-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyrrol-2-one is sourced from PubChem (CID 140993562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).