2-(furan-2-yl)-1-methylpyrrolidin-3-one

C9H11NO2 — CID 83826796

IUPAC2-(furan-2-yl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)C1c1ccco1
InChIInChI=1S/C9H11NO2/c1-10-5-4-7(11)9(10)8-3-2-6-12-8/h2-3,6,9H,4-5H2,1H3
InChIKeySEIWVDIXZANMTL-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.23
Rot. Bonds1

About 2-(furan-2-yl)-1-methylpyrrolidin-3-one

2-(furan-2-yl)-1-methylpyrrolidin-3-one (PubChem CID 83826796) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name2-(furan-2-yl)-1-methylpyrrolidin-3-one
PubChem CID83826796
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(furan-2-yl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)C1c1ccco1
InChIInChI=1S/C9H11NO2/c1-10-5-4-7(11)9(10)8-3-2-6-12-8/h2-3,6,9H,4-5H2,1H3
InChIKeySEIWVDIXZANMTL-UHFFFAOYSA-N
XLogP1.23
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15134388
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
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(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
2-(4,7-dimethyl-3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b]pyrazin-2-ylidene)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 14516895
(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124724599
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 96744208
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
(2R,3R,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310281
(2R,5R)-5-(furan-2-yl)-1,2-diphenylpyrrolidin-3-one
CID 11197439

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-methylpyrrolidin-3-one?
The IUPAC name of 2-(furan-2-yl)-1-methylpyrrolidin-3-one (CID 83826796) is 2-(furan-2-yl)-1-methylpyrrolidin-3-one.
What is the SMILES notation for 2-(furan-2-yl)-1-methylpyrrolidin-3-one?
The canonical SMILES for 2-(furan-2-yl)-1-methylpyrrolidin-3-one is CN1CCC(=O)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-methylpyrrolidin-3-one?
The InChIKey is SEIWVDIXZANMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-5-4-7(11)9(10)8-3-2-6-12-8/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-methylpyrrolidin-3-one?
2-(furan-2-yl)-1-methylpyrrolidin-3-one has a molecular weight of 165.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-methylpyrrolidin-3-one is sourced from PubChem (CID 83826796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).