4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one

C15H16N2O3 — CID 168702287

IUPAC4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(-n2cccc2)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-4-5-13(16-6-2-3-7-16)14(9-12)17-10-11(18)8-15(17)19/h2-7,9,11,18H,8,10H2,1H3
InChIKeyVXGQWOCWBXNMML-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.58
Rot. Bonds3

About 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one

4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one (PubChem CID 168702287) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
PubChem CID168702287
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(-n2cccc2)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-4-5-13(16-6-2-3-7-16)14(9-12)17-10-11(18)8-15(17)19/h2-7,9,11,18H,8,10H2,1H3
InChIKeyVXGQWOCWBXNMML-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693437
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 71664347
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 168691890
S-[1-(2-chloro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705228
4-hydroxy-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168702268
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
methyl 3-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702177
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one (CID 168702287) is 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one is COc1ccc(-n2cccc2)c(N2CC(O)CC2=O)c1.
What is the InChIKey of 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is VXGQWOCWBXNMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-4-5-13(16-6-2-3-7-16)14(9-12)17-10-11(18)8-15(17)19/h2-7,9,11,18H,8,10H2,1H3.
What are the key properties of 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one?
4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168702287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).