1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one

C12H13NO2 — CID 70316561

IUPAC1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
SMILESC=C(O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)13-7-3-6-12(13)15/h2,4-5,8,14H,1,3,6-7H2
InChIKeyIDBJPVGMSNDTGA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.34
Rot. Bonds2

About 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one

1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one (PubChem CID 70316561) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
PubChem CID70316561
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
SMILESC=C(O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)13-7-3-6-12(13)15/h2,4-5,8,14H,1,3,6-7H2
InChIKeyIDBJPVGMSNDTGA-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
CID 75398220

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one (CID 70316561) is 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one is C=C(O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one?
The InChIKey is IDBJPVGMSNDTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)13-7-3-6-12(13)15/h2,4-5,8,14H,1,3,6-7H2.
What are the key properties of 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one?
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70316561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).