3-(2-oxopentyl)pyrrol-2-one

C9H11NO2 — CID 167567557

IUPAC3-(2-oxopentyl)pyrrol-2-one
SMILESCCCC(=O)CC1=CC=NC1=O
InChIInChI=1S/C9H11NO2/c1-2-3-8(11)6-7-4-5-10-9(7)12/h4-5H,2-3,6H2,1H3
InChIKeyFMDJDJBSDUYUTA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.28
Rot. Bonds4

About 3-(2-oxopentyl)pyrrol-2-one

3-(2-oxopentyl)pyrrol-2-one (PubChem CID 167567557) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(2-oxopentyl)pyrrol-2-one.

Molecular Properties

Compound Name3-(2-oxopentyl)pyrrol-2-one
PubChem CID167567557
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(2-oxopentyl)pyrrol-2-one
SMILESCCCC(=O)CC1=CC=NC1=O
InChIInChI=1S/C9H11NO2/c1-2-3-8(11)6-7-4-5-10-9(7)12/h4-5H,2-3,6H2,1H3
InChIKeyFMDJDJBSDUYUTA-UHFFFAOYSA-N
XLogP1.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Oxocyclohexen-1-yl)azepin-2-one
CID 57257315
4-Pentylpyridine-2,3-dione
CID 77379890
3-Octylpyrrol-2-one
CID 140967878
3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
3-Hexadecylpyrrol-2-one
CID 150024905
1-(2-Oxopyrrol-3-yl)heptane-2,4-dione
CID 167557917
3-(2-Oxoheptyl)pyrrol-2-one
CID 167595100
1-(2-Oxopyrrol-3-yl)tridecane-2,4-dione
CID 167600069
3-(2-Oxononyl)pyrrol-2-one
CID 167616208
3-(2-Oxotridecyl)pyrrol-2-one
CID 167658414
3-(2-Oxoundecyl)pyrrol-2-one
CID 167698261

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopentyl)pyrrol-2-one?
The IUPAC name of 3-(2-oxopentyl)pyrrol-2-one (CID 167567557) is 3-(2-oxopentyl)pyrrol-2-one.
What is the SMILES notation for 3-(2-oxopentyl)pyrrol-2-one?
The canonical SMILES for 3-(2-oxopentyl)pyrrol-2-one is CCCC(=O)CC1=CC=NC1=O.
What is the InChIKey of 3-(2-oxopentyl)pyrrol-2-one?
The InChIKey is FMDJDJBSDUYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-3-8(11)6-7-4-5-10-9(7)12/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-(2-oxopentyl)pyrrol-2-one?
3-(2-oxopentyl)pyrrol-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopentyl)pyrrol-2-one is sourced from PubChem (CID 167567557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).