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

C10H12N2O — CID 778729

IUPAC1-(2-methylphenyl)pyrazolidin-3-one
SMILESCc1ccccc1N1CCC(=O)N1
InChIInChI=1S/C10H12N2O/c1-8-4-2-3-5-9(8)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyVQAMXXXBDNKODW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.24
Rot. Bonds1

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

1-(2-methylphenyl)pyrazolidin-3-one (PubChem CID 778729) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2-methylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-methylphenyl)pyrazolidin-3-one
PubChem CID778729
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(2-methylphenyl)pyrazolidin-3-one
SMILESCc1ccccc1N1CCC(=O)N1
InChIInChI=1S/C10H12N2O/c1-8-4-2-3-5-9(8)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyVQAMXXXBDNKODW-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)pyrazolidin-3-one?
The IUPAC name of 1-(2-methylphenyl)pyrazolidin-3-one (CID 778729) is 1-(2-methylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(2-methylphenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(2-methylphenyl)pyrazolidin-3-one is Cc1ccccc1N1CCC(=O)N1.
What is the InChIKey of 1-(2-methylphenyl)pyrazolidin-3-one?
The InChIKey is VQAMXXXBDNKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-4-2-3-5-9(8)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 1-(2-methylphenyl)pyrazolidin-3-one?
1-(2-methylphenyl)pyrazolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 778729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).