1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one

C17H16N2O — CID 102361654

IUPAC1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-13-16(14-9-5-3-6-10-14)18(2)19(17(13)20)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InChIKeyNVMVQPVXXROCEO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.18
Rot. Bonds2

About 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one

1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one (PubChem CID 102361654) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one
PubChem CID102361654
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-13-16(14-9-5-3-6-10-14)18(2)19(17(13)20)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InChIKeyNVMVQPVXXROCEO-UHFFFAOYSA-N
XLogP3.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one?
The IUPAC name of 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one (CID 102361654) is 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one is C=C1C(=O)N(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one?
The InChIKey is NVMVQPVXXROCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-16(14-9-5-3-6-10-14)18(2)19(17(13)20)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3.
What are the key properties of 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one?
1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one has a molecular weight of 264.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-2,5-diphenylpyrazolidin-3-one is sourced from PubChem (CID 102361654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).