5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one

C16H22N2O — CID 151912060

IUPAC5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one
SMILESC=C1C(=O)NN(c2cccc(CC(C)C)c2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-7-6-8-14(10-13)18-16(4,5)12(3)15(19)17-18/h6-8,10-11H,3,9H2,1-2,4-5H3,(H,17,19)
InChIKeySUZCFDFISFZYOJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.07
Rot. Bonds3

About 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one

5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one (PubChem CID 151912060) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one
PubChem CID151912060
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one
SMILESC=C1C(=O)NN(c2cccc(CC(C)C)c2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-7-6-8-14(10-13)18-16(4,5)12(3)15(19)17-18/h6-8,10-11H,3,9H2,1-2,4-5H3,(H,17,19)
InChIKeySUZCFDFISFZYOJ-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-4-methylidene-1-naphthalen-1-ylpyrazolidin-3-one
CID 150347459
1-[3-(2-methylpropyl)phenyl]pyrrole
CID 59353148
(2R)-2-methyl-1-[3-(2-methylpropyl)phenyl]piperazine
CID 166036202
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
1-(3-tert-butylphenyl)-3-[3-(2-methylpropyl)phenyl]-4,5-bis(sulfanyl)imidazole-2-thione
CID 140616806
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
5-(2-methylpropyl)-1H-indole-2,3-dione
CID 13036487
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
1-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)benzene
CID 126713363
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one (CID 151912060) is 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one is C=C1C(=O)NN(c2cccc(CC(C)C)c2)C1(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one?
The InChIKey is SUZCFDFISFZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-13-7-6-8-14(10-13)18-16(4,5)12(3)15(19)17-18/h6-8,10-11H,3,9H2,1-2,4-5H3,(H,17,19).
What are the key properties of 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one?
5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one has a molecular weight of 258.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 151912060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).