1-methyl-4-methylidene-2-phenylpyrazolidin-3-one

C11H12N2O — CID 102361651

IUPAC1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1CN(C)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O/c1-9-8-12(2)13(11(9)14)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyLFFXWEZPJLQYKM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one

1-methyl-4-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 102361651) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
PubChem CID102361651
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1CN(C)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O/c1-9-8-12(2)13(11(9)14)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyLFFXWEZPJLQYKM-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Antipyrine
CID 2206
Propyphenazone
CID 3778
Phenidone
CID 7090
Feprazone
CID 35455
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
4-Iodoantipyrine
CID 8522
Dimezone
CID 75861
2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
CID 70371
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CID 201234
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one (CID 102361651) is 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one is C=C1CN(C)N(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is LFFXWEZPJLQYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-8-12(2)13(11(9)14)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
1-methyl-4-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 102361651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).