1-(2-methylpyrazolidin-1-yl)propane-1,2-dione

C7H12N2O2 — CID 59881304

IUPAC1-(2-methylpyrazolidin-1-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CCCN1C
InChIInChI=1S/C7H12N2O2/c1-6(10)7(11)9-5-3-4-8(9)2/h3-5H2,1-2H3
InChIKeyNABFGQBQBGGODT-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.35
Rot. Bonds1

About 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione

1-(2-methylpyrazolidin-1-yl)propane-1,2-dione (PubChem CID 59881304) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione.

Molecular Properties

Compound Name1-(2-methylpyrazolidin-1-yl)propane-1,2-dione
PubChem CID59881304
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(2-methylpyrazolidin-1-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CCCN1C
InChIInChI=1S/C7H12N2O2/c1-6(10)7(11)9-5-3-4-8(9)2/h3-5H2,1-2H3
InChIKeyNABFGQBQBGGODT-UHFFFAOYSA-N
XLogP-0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione?
The IUPAC name of 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione (CID 59881304) is 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione.
What is the SMILES notation for 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione?
The canonical SMILES for 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione is CC(=O)C(=O)N1CCCN1C.
What is the InChIKey of 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione?
The InChIKey is NABFGQBQBGGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)7(11)9-5-3-4-8(9)2/h3-5H2,1-2H3.
What are the key properties of 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione?
1-(2-methylpyrazolidin-1-yl)propane-1,2-dione has a molecular weight of 156.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazolidin-1-yl)propane-1,2-dione is sourced from PubChem (CID 59881304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).