1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one

C14H18N2O — CID 102361650

IUPAC1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)13-11(3)14(17)16(15(13)4)12-8-6-5-7-9-12/h5-10,13H,3H2,1-2,4H3
InChIKeyBGMPGLBHUZAKIT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.46
Rot. Bonds2

About 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one

1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one (PubChem CID 102361650) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one
PubChem CID102361650
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)13-11(3)14(17)16(15(13)4)12-8-6-5-7-9-12/h5-10,13H,3H2,1-2,4H3
InChIKeyBGMPGLBHUZAKIT-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.46
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

1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
4-[1-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-3-methylbutyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 162801430
4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one
CID 146678458
2-(3-chlorophenyl)-5-ethyl-1-methyl-4-methylidenepyrazolidin-3-one
CID 102361652
1,2-diphenylpyrazolidine-3,4,5-trione
CID 162788375
5-methyl-3,4-dimethylidene-1-phenylpyrrolidin-2-one
CID 88552962
4-(1-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 21139704
CID 24844231
CID 24844231
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 561921
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
CID 171384384
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one (CID 102361650) is 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one is C=C1C(=O)N(c2ccccc2)N(C)C1C(C)C.
What is the InChIKey of 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one?
The InChIKey is BGMPGLBHUZAKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13-11(3)14(17)16(15(13)4)12-8-6-5-7-9-12/h5-10,13H,3H2,1-2,4H3.
What are the key properties of 1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one?
1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.46, 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-phenyl-5-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 102361650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).