cyclohexyl-(2-methylaziridin-1-yl)methanone

C10H17NO — CID 14770320

IUPACcyclohexyl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-8-7-11(8)10(12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyRXABBMISCGOIEC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds1

About cyclohexyl-(2-methylaziridin-1-yl)methanone

cyclohexyl-(2-methylaziridin-1-yl)methanone (PubChem CID 14770320) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is cyclohexyl-(2-methylaziridin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methylaziridin-1-yl)methanone
PubChem CID14770320
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namecyclohexyl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-8-7-11(8)10(12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyRXABBMISCGOIEC-UHFFFAOYSA-N
XLogP1.80
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexyl-(2-methylaziridin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methylaziridin-1-yl)methanone?
The IUPAC name of cyclohexyl-(2-methylaziridin-1-yl)methanone (CID 14770320) is cyclohexyl-(2-methylaziridin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-methylaziridin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2-methylaziridin-1-yl)methanone is CC1CN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methylaziridin-1-yl)methanone?
The InChIKey is RXABBMISCGOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-7-11(8)10(12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of cyclohexyl-(2-methylaziridin-1-yl)methanone?
cyclohexyl-(2-methylaziridin-1-yl)methanone has a molecular weight of 167.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methylaziridin-1-yl)methanone is sourced from PubChem (CID 14770320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).