3-oxocyclohexane-1-carboxamide

C7H11NO2 — CID 55290192

IUPAC3-oxocyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(=O)C1
InChIInChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)
InChIKeyHWQYGPLWZGRAKD-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.23
Rot. Bonds1

About 3-oxocyclohexane-1-carboxamide

3-oxocyclohexane-1-carboxamide (PubChem CID 55290192) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-oxocyclohexane-1-carboxamide
PubChem CID55290192
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-oxocyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(=O)C1
InChIInChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)
InChIKeyHWQYGPLWZGRAKD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-oxocyclohexane-1-carboxamide?
The IUPAC name of 3-oxocyclohexane-1-carboxamide (CID 55290192) is 3-oxocyclohexane-1-carboxamide.
What is the SMILES notation for 3-oxocyclohexane-1-carboxamide?
The canonical SMILES for 3-oxocyclohexane-1-carboxamide is NC(=O)C1CCCC(=O)C1.
What is the InChIKey of 3-oxocyclohexane-1-carboxamide?
The InChIKey is HWQYGPLWZGRAKD-UHFFFAOYSA-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).
What are the key properties of 3-oxocyclohexane-1-carboxamide?
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 3-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 55290192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).