2-(Hydroxymethyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one

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Basic information

CAS: 5674-51-1
Standard SMILES: CC1(C)CN(c2ccccc2)N(CO)C1=O
InChIKey: OQJBAQRKEKZZRH-UHFFFAOYSA-N
Molecular formula: C12H16N2O2
Average molar mass: 220.27 g/mol
Monoisotopic mass: 220.12117776

Names & identifiers

Preferred name: 2-(Hydroxymethyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one
IUPAC: 2-(hydroxymethyl)-4,4-dimethyl-1-phenylpyrazolidin-3-one

Names & synonyms

NSC2316165674-51-12-(hydroxymethyl)-4,4-dimethyl-1-phenylpyrazolidin-3-oneSCHEMBL5675793DTXSID10310768OQJBAQRKEKZZRH-UHFFFAOYSA-NNSC-2316164,4-dimethyl-2-hydroxymethyl-1-phenyl-3-pyrazolidone

Database identifiers

CAS: 5674-51-1
PubChem CID: 314306
DTXSID: DTXSID10310768

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 272

Related reactions

1 records

New reaction record

HRID 1248164As productuspto-grants-1985_06

Compound notes

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