1-(furan-2-carbonyl)pyrrolidin-2-one

C9H9NO3 — CID 14424878

IUPAC1-(furan-2-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C9H9NO3/c11-8-4-1-5-10(8)9(12)7-3-2-6-13-7/h2-3,6H,1,4-5H2
InChIKeyBULKCSHTJQYRGT-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.04
Rot. Bonds1

About 1-(furan-2-carbonyl)pyrrolidin-2-one

1-(furan-2-carbonyl)pyrrolidin-2-one (PubChem CID 14424878) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(furan-2-carbonyl)pyrrolidin-2-one
PubChem CID14424878
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name1-(furan-2-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C9H9NO3/c11-8-4-1-5-10(8)9(12)7-3-2-6-13-7/h2-3,6H,1,4-5H2
InChIKeyBULKCSHTJQYRGT-UHFFFAOYSA-N
XLogP1.04
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
CID 82084861
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
2-(furan-2-carbonyl)-3H-isoindol-1-one
CID 102488354
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
1-(2-fluorobenzoyl)pyrrolidin-2-one
CID 770090
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(furan-2-carbonyl)pyrrolidin-2-one (CID 14424878) is 1-(furan-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(furan-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(furan-2-carbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)pyrrolidin-2-one?
The InChIKey is BULKCSHTJQYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-1-5-10(8)9(12)7-3-2-6-13-7/h2-3,6H,1,4-5H2.
What are the key properties of 1-(furan-2-carbonyl)pyrrolidin-2-one?
1-(furan-2-carbonyl)pyrrolidin-2-one has a molecular weight of 179.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 14424878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).