aziridin-1-yl(cyclohexyl)methanone

C9H15NO — CID 2309619

IUPACaziridin-1-yl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)N1CC1
InChIInChI=1S/C9H15NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyZCZHNDFVODJBBB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds1

About aziridin-1-yl(cyclohexyl)methanone

aziridin-1-yl(cyclohexyl)methanone (PubChem CID 2309619) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is aziridin-1-yl(cyclohexyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl(cyclohexyl)methanone
PubChem CID2309619
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameaziridin-1-yl(cyclohexyl)methanone
SMILESO=C(C1CCCCC1)N1CC1
InChIInChI=1S/C9H15NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyZCZHNDFVODJBBB-UHFFFAOYSA-N
XLogP1.41
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
CID 62588341
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl(cyclohexyl)methanone?
The IUPAC name of aziridin-1-yl(cyclohexyl)methanone (CID 2309619) is aziridin-1-yl(cyclohexyl)methanone.
What is the SMILES notation for aziridin-1-yl(cyclohexyl)methanone?
The canonical SMILES for aziridin-1-yl(cyclohexyl)methanone is O=C(C1CCCCC1)N1CC1.
What is the InChIKey of aziridin-1-yl(cyclohexyl)methanone?
The InChIKey is ZCZHNDFVODJBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of aziridin-1-yl(cyclohexyl)methanone?
aziridin-1-yl(cyclohexyl)methanone has a molecular weight of 153.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl(cyclohexyl)methanone is sourced from PubChem (CID 2309619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).