1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide

C12H20N2O2 — CID 60863268

IUPAC1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCCCCC1=O
InChIInChI=1S/C12H20N2O2/c13-12(16)10-6-4-8-14(10)9-5-2-1-3-7-11(9)15/h9-10H,1-8H2,(H2,13,16)
InChIKeyLQHJTJHWJGLICL-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide

1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide (PubChem CID 60863268) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide
PubChem CID60863268
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCCCCC1=O
InChIInChI=1S/C12H20N2O2/c13-12(16)10-6-4-8-14(10)9-5-2-1-3-7-11(9)15/h9-10H,1-8H2,(H2,13,16)
InChIKeyLQHJTJHWJGLICL-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide (CID 60863268) is 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCCCCC1=O.
What is the InChIKey of 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide?
The InChIKey is LQHJTJHWJGLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-12(16)10-6-4-8-14(10)9-5-2-1-3-7-11(9)15/h9-10H,1-8H2,(H2,13,16).
What are the key properties of 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide?
1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxocycloheptyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60863268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).