2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide

C8H11NO2 — CID 175866815

IUPAC2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESNC(=O)C12CC(C1)C2CC=O
InChIInChI=1S/C8H11NO2/c9-7(11)8-3-5(4-8)6(8)1-2-10/h2,5-6H,1,3-4H2,(H2,9,11)
InChIKeyRNIGIXYZKNAKCZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.09
Rot. Bonds3

About 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide

2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 175866815) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID175866815
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESNC(=O)C12CC(C1)C2CC=O
InChIInChI=1S/C8H11NO2/c9-7(11)8-3-5(4-8)6(8)1-2-10/h2,5-6H,1,3-4H2,(H2,9,11)
InChIKeyRNIGIXYZKNAKCZ-UHFFFAOYSA-N
XLogP0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-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 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 175866815) is 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide is NC(=O)C12CC(C1)C2CC=O.
What is the InChIKey of 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is RNIGIXYZKNAKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-7(11)8-3-5(4-8)6(8)1-2-10/h2,5-6H,1,3-4H2,(H2,9,11).
What are the key properties of 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide?
2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 175866815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).