4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one

C15H15NO2 — CID 66104830

IUPAC4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2c2ccccc2)o1
InChIInChI=1S/C15H15NO2/c1-10-7-8-13(18-10)12-9-14(17)16-15(12)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,16,17)
InChIKeyPQKQRCDPNRMBQQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.93
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one

4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one (PubChem CID 66104830) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one
PubChem CID66104830
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2c2ccccc2)o1
InChIInChI=1S/C15H15NO2/c1-10-7-8-13(18-10)12-9-14(17)16-15(12)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,16,17)
InChIKeyPQKQRCDPNRMBQQ-UHFFFAOYSA-N
XLogP2.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
CID 66118016
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
CID 81157204
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one
CID 66109139

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one (CID 66104830) is 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one is Cc1ccc(C2CC(=O)NC2c2ccccc2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one?
The InChIKey is PQKQRCDPNRMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-7-8-13(18-10)12-9-14(17)16-15(12)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,16,17).
What are the key properties of 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one?
4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 66104830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).