3-amino-2-oxocyclohexane-1-carboxamide

C7H12N2O2 — CID 68857585

IUPAC3-amino-2-oxocyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N)C1=O
InChIInChI=1S/C7H12N2O2/c8-5-3-1-2-4(6(5)10)7(9)11/h4-5H,1-3,8H2,(H2,9,11)
InChIKeyUAFSAVXJWAESOX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.83
Rot. Bonds1

About 3-amino-2-oxocyclohexane-1-carboxamide

3-amino-2-oxocyclohexane-1-carboxamide (PubChem CID 68857585) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-amino-2-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-oxocyclohexane-1-carboxamide
PubChem CID68857585
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-amino-2-oxocyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N)C1=O
InChIInChI=1S/C7H12N2O2/c8-5-3-1-2-4(6(5)10)7(9)11/h4-5H,1-3,8H2,(H2,9,11)
InChIKeyUAFSAVXJWAESOX-UHFFFAOYSA-N
XLogP-0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxocyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-oxocyclohexane-1-carboxamide (CID 68857585) is 3-amino-2-oxocyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-oxocyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-oxocyclohexane-1-carboxamide is NC(=O)C1CCCC(N)C1=O.
What is the InChIKey of 3-amino-2-oxocyclohexane-1-carboxamide?
The InChIKey is UAFSAVXJWAESOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-5-3-1-2-4(6(5)10)7(9)11/h4-5H,1-3,8H2,(H2,9,11).
What are the key properties of 3-amino-2-oxocyclohexane-1-carboxamide?
3-amino-2-oxocyclohexane-1-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 68857585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).