5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one

C13H14N2O — CID 3418233

IUPAC5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=C(C)C
InChIInChI=1S/C13H14N2O/c1-9(2)12-10(3)14-15(13(12)16)11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3
InChIKeyGJBRRTBGSFKREG-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.77
Rot. Bonds1

About 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one

5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one (PubChem CID 3418233) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one.

Molecular Properties

Compound Name5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one
PubChem CID3418233
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=C(C)C
InChIInChI=1S/C13H14N2O/c1-9(2)12-10(3)14-15(13(12)16)11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3
InChIKeyGJBRRTBGSFKREG-UHFFFAOYSA-N
XLogP0.77
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide
CID 2244724
(4Z)-4-[(E)-1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2249568
(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2253149
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
4-fluoro-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 67809247
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
6-chloro-2-phenyl-1H-pyridazine-3,4-dione
CID 779542
2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
CID 2341150
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509
2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 2180854

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one?
The IUPAC name of 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one (CID 3418233) is 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one.
What is the SMILES notation for 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one?
The canonical SMILES for 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)c1=C(C)C.
What is the InChIKey of 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one?
The InChIKey is GJBRRTBGSFKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(2)12-10(3)14-15(13(12)16)11-7-5-4-6-8-11/h4-8,14H,3H2,1-2H3.
What are the key properties of 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one?
5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one has a molecular weight of 214.27 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-phenyl-4-propan-2-ylidenepyrazolidin-3-one is sourced from PubChem (CID 3418233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).