(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

C12H13NO2 — CID 58825310

IUPAC(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1CC/C(=C/c2ccccc2O)C1=O
InChIInChI=1S/C12H13NO2/c1-13-7-6-10(12(13)15)8-9-4-2-3-5-11(9)14/h2-5,8,14H,6-7H2,1H3/b10-8-
InChIKeyKNFPZJRQRPXHTE-NTMALXAHSA-N
MW203.24 g/mol
LogP1.64
Rot. Bonds1

About (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (PubChem CID 58825310) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
PubChem CID58825310
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1CC/C(=C/c2ccccc2O)C1=O
InChIInChI=1S/C12H13NO2/c1-13-7-6-10(12(13)15)8-9-4-2-3-5-11(9)14/h2-5,8,14H,6-7H2,1H3/b10-8-
InChIKeyKNFPZJRQRPXHTE-NTMALXAHSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (CID 58825310) is (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is CN1CC/C(=C/c2ccccc2O)C1=O.
What is the InChIKey of (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The InChIKey is KNFPZJRQRPXHTE-NTMALXAHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-7-6-10(12(13)15)8-9-4-2-3-5-11(9)14/h2-5,8,14H,6-7H2,1H3/b10-8-.
What are the key properties of (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 58825310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).