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

C13H16N2O — CID 102361649

IUPAC5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1CC
InChIInChI=1S/C13H16N2O/c1-4-12-10(2)13(16)15(14(12)3)11-8-6-5-7-9-11/h5-9,12H,2,4H2,1,3H3
InChIKeyVGRLHUXESUIKEO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.21
Rot. Bonds2

About 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one

5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 102361649) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
PubChem CID102361649
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one
SMILESC=C1C(=O)N(c2ccccc2)N(C)C1CC
InChIInChI=1S/C13H16N2O/c1-4-12-10(2)13(16)15(14(12)3)11-8-6-5-7-9-11/h5-9,12H,2,4H2,1,3H3
InChIKeyVGRLHUXESUIKEO-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.21
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
Dimezone
CID 75861
1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CID 201234
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342
5-Methyl-1-phenyl-3-pyrazolidinone
CID 4414330
5-Methyl-2-phenyl-3-pyrzolidinone
CID 459035
3,5-Pyrazolidinedione, 4-sec-butylidene-1,2-diphenyl-
CID 213503
4-Methyl-2-phenylpyrazolidin-3-one
CID 3752124

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one (CID 102361649) is 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one is C=C1C(=O)N(c2ccccc2)N(C)C1CC.
What is the InChIKey of 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is VGRLHUXESUIKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-12-10(2)13(16)15(14(12)3)11-8-6-5-7-9-11/h5-9,12H,2,4H2,1,3H3.
What are the key properties of 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one?
5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 216.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 102361649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).