2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one

C12H14N2O — CID 155673538

IUPAC2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one
SMILESC=CN1C(=O)CCN1c1cccc(C)c1
InChIInChI=1S/C12H14N2O/c1-3-13-12(15)7-8-14(13)11-6-4-5-10(2)9-11/h3-6,9H,1,7-8H2,2H3
InChIKeyKUHMAQCTLSSVII-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds2

About 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one

2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one (PubChem CID 155673538) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one
PubChem CID155673538
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one
SMILESC=CN1C(=O)CCN1c1cccc(C)c1
InChIInChI=1S/C12H14N2O/c1-3-13-12(15)7-8-14(13)11-6-4-5-10(2)9-11/h3-6,9H,1,7-8H2,2H3
InChIKeyKUHMAQCTLSSVII-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one?
The IUPAC name of 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one (CID 155673538) is 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one is C=CN1C(=O)CCN1c1cccc(C)c1.
What is the InChIKey of 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one?
The InChIKey is KUHMAQCTLSSVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-13-12(15)7-8-14(13)11-6-4-5-10(2)9-11/h3-6,9H,1,7-8H2,2H3.
What are the key properties of 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one?
2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(3-methylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 155673538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).