1-acetyl-2-methylpyrazolidin-3-one

C6H10N2O2 — CID 18183469

IUPAC1-acetyl-2-methylpyrazolidin-3-one
SMILESCC(=O)N1CCC(=O)N1C
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-3-6(10)7(8)2/h3-4H2,1-2H3
InChIKeyVBWJYRQRJIHXMA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.39
Rot. Bonds

About 1-acetyl-2-methylpyrazolidin-3-one

1-acetyl-2-methylpyrazolidin-3-one (PubChem CID 18183469) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-acetyl-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-acetyl-2-methylpyrazolidin-3-one
PubChem CID18183469
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-acetyl-2-methylpyrazolidin-3-one
SMILESCC(=O)N1CCC(=O)N1C
InChIInChI=1S/C6H10N2O2/c1-5(9)8-4-3-6(10)7(8)2/h3-4H2,1-2H3
InChIKeyVBWJYRQRJIHXMA-UHFFFAOYSA-N
XLogP-0.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methylpyrazolidin-3-one?
The IUPAC name of 1-acetyl-2-methylpyrazolidin-3-one (CID 18183469) is 1-acetyl-2-methylpyrazolidin-3-one.
What is the SMILES notation for 1-acetyl-2-methylpyrazolidin-3-one?
The canonical SMILES for 1-acetyl-2-methylpyrazolidin-3-one is CC(=O)N1CCC(=O)N1C.
What is the InChIKey of 1-acetyl-2-methylpyrazolidin-3-one?
The InChIKey is VBWJYRQRJIHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8-4-3-6(10)7(8)2/h3-4H2,1-2H3.
What are the key properties of 1-acetyl-2-methylpyrazolidin-3-one?
1-acetyl-2-methylpyrazolidin-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methylpyrazolidin-3-one is sourced from PubChem (CID 18183469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).