N-cyclohexyloxirane-2-carboxamide

C9H15NO2 — CID 560327

IUPACN-cyclohexyloxirane-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CO1
InChIInChI=1S/C9H15NO2/c11-9(8-6-12-8)10-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,10,11)
InChIKeyYBKITAHQSITJGK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds2

About N-cyclohexyloxirane-2-carboxamide

N-cyclohexyloxirane-2-carboxamide (PubChem CID 560327) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-cyclohexyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyloxirane-2-carboxamide
PubChem CID560327
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-cyclohexyloxirane-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CO1
InChIInChI=1S/C9H15NO2/c11-9(8-6-12-8)10-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,10,11)
InChIKeyYBKITAHQSITJGK-UHFFFAOYSA-N
XLogP0.83
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
CID 97015821
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyloxirane-2-carboxamide?
The IUPAC name of N-cyclohexyloxirane-2-carboxamide (CID 560327) is N-cyclohexyloxirane-2-carboxamide.
What is the SMILES notation for N-cyclohexyloxirane-2-carboxamide?
The canonical SMILES for N-cyclohexyloxirane-2-carboxamide is O=C(NC1CCCCC1)C1CO1.
What is the InChIKey of N-cyclohexyloxirane-2-carboxamide?
The InChIKey is YBKITAHQSITJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(8-6-12-8)10-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,10,11).
What are the key properties of N-cyclohexyloxirane-2-carboxamide?
N-cyclohexyloxirane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyloxirane-2-carboxamide is sourced from PubChem (CID 560327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).