(1S)-3-oxocyclohexane-1-carboxamide

C7H11NO2 — CID 124538181

IUPAC(1S)-3-oxocyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC(=O)C1
InChIInChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)/t5-/m0/s1
InChIKeyHWQYGPLWZGRAKD-YFKPBYRVSA-N
MW141.17 g/mol
LogP0.23
Rot. Bonds1

About (1S)-3-oxocyclohexane-1-carboxamide

(1S)-3-oxocyclohexane-1-carboxamide (PubChem CID 124538181) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S)-3-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3-oxocyclohexane-1-carboxamide
PubChem CID124538181
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S)-3-oxocyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC(=O)C1
InChIInChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)/t5-/m0/s1
InChIKeyHWQYGPLWZGRAKD-YFKPBYRVSA-N
XLogP0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3-oxocyclohexane-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 (1S)-3-oxocyclohexane-1-carboxamide?
The IUPAC name of (1S)-3-oxocyclohexane-1-carboxamide (CID 124538181) is (1S)-3-oxocyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-3-oxocyclohexane-1-carboxamide?
The canonical SMILES for (1S)-3-oxocyclohexane-1-carboxamide is NC(=O)[C@H]1CCCC(=O)C1.
What is the InChIKey of (1S)-3-oxocyclohexane-1-carboxamide?
The InChIKey is HWQYGPLWZGRAKD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)/t5-/m0/s1.
What are the key properties of (1S)-3-oxocyclohexane-1-carboxamide?
(1S)-3-oxocyclohexane-1-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 124538181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).