2-hept-5-en-3-yl-3-methylaziridine

C10H19N — CID 163675274

IUPAC2-hept-5-en-3-yl-3-methylaziridine
SMILESCC=CCC(CC)C1NC1C
InChIInChI=1S/C10H19N/c1-4-6-7-9(5-2)10-8(3)11-10/h4,6,8-11H,5,7H2,1-3H3
InChIKeyJGDIMKIGABJEBJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds4

About 2-hept-5-en-3-yl-3-methylaziridine

2-hept-5-en-3-yl-3-methylaziridine (PubChem CID 163675274) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-hept-5-en-3-yl-3-methylaziridine.

Molecular Properties

Compound Name2-hept-5-en-3-yl-3-methylaziridine
PubChem CID163675274
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-hept-5-en-3-yl-3-methylaziridine
SMILESCC=CCC(CC)C1NC1C
InChIInChI=1S/C10H19N/c1-4-6-7-9(5-2)10-8(3)11-10/h4,6,8-11H,5,7H2,1-3H3
InChIKeyJGDIMKIGABJEBJ-UHFFFAOYSA-N
XLogP2.34
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hept-5-en-3-yl-3-methylaziridine 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 2-hept-5-en-3-yl-3-methylaziridine?
The IUPAC name of 2-hept-5-en-3-yl-3-methylaziridine (CID 163675274) is 2-hept-5-en-3-yl-3-methylaziridine.
What is the SMILES notation for 2-hept-5-en-3-yl-3-methylaziridine?
The canonical SMILES for 2-hept-5-en-3-yl-3-methylaziridine is CC=CCC(CC)C1NC1C.
What is the InChIKey of 2-hept-5-en-3-yl-3-methylaziridine?
The InChIKey is JGDIMKIGABJEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-9(5-2)10-8(3)11-10/h4,6,8-11H,5,7H2,1-3H3.
What are the key properties of 2-hept-5-en-3-yl-3-methylaziridine?
2-hept-5-en-3-yl-3-methylaziridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-5-en-3-yl-3-methylaziridine is sourced from PubChem (CID 163675274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).