N-cyclohexylaziridine-2-carboxamide

C9H16N2O — CID 142164432

IUPACN-cyclohexylaziridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CN1
InChIInChI=1S/C9H16N2O/c12-9(8-6-10-8)11-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPMEXJMPNAUXSLA-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.41
Rot. Bonds2

About N-cyclohexylaziridine-2-carboxamide

N-cyclohexylaziridine-2-carboxamide (PubChem CID 142164432) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-cyclohexylaziridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexylaziridine-2-carboxamide
PubChem CID142164432
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-cyclohexylaziridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CN1
InChIInChI=1S/C9H16N2O/c12-9(8-6-10-8)11-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPMEXJMPNAUXSLA-UHFFFAOYSA-N
XLogP0.41
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylaziridine-2-carboxamide;methanol
CID 142164431
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(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
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N-cyclodecylcyclododecanecarboxamide
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N-cycloheptylcycloheptanecarboxamide
CID 129091005
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
N-cyclopropylpiperazine-2-carboxamide
CID 83806832
N-cyclooctyl-6-methylpiperidine-2-carboxamide
CID 43185115
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylaziridine-2-carboxamide?
The IUPAC name of N-cyclohexylaziridine-2-carboxamide (CID 142164432) is N-cyclohexylaziridine-2-carboxamide.
What is the SMILES notation for N-cyclohexylaziridine-2-carboxamide?
The canonical SMILES for N-cyclohexylaziridine-2-carboxamide is O=C(NC1CCCCC1)C1CN1.
What is the InChIKey of N-cyclohexylaziridine-2-carboxamide?
The InChIKey is PMEXJMPNAUXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(8-6-10-8)11-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of N-cyclohexylaziridine-2-carboxamide?
N-cyclohexylaziridine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylaziridine-2-carboxamide is sourced from PubChem (CID 142164432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).