2-(1-bicyclo[2.2.1]heptanyl)aziridine

C9H15N — CID 87666831

IUPAC2-(1-bicyclo[2.2.1]heptanyl)aziridine
SMILESC1CC2(C3CN3)CCC1C2
InChIInChI=1S/C9H15N/c1-3-9(8-6-10-8)4-2-7(1)5-9/h7-8,10H,1-6H2
InChIKeyQBTPBHPUMHQGMM-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.54
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]heptanyl)aziridine

2-(1-bicyclo[2.2.1]heptanyl)aziridine (PubChem CID 87666831) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanyl)aziridine.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanyl)aziridine
PubChem CID87666831
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(1-bicyclo[2.2.1]heptanyl)aziridine
SMILESC1CC2(C3CN3)CCC1C2
InChIInChI=1S/C9H15N/c1-3-9(8-6-10-8)4-2-7(1)5-9/h7-8,10H,1-6H2
InChIKeyQBTPBHPUMHQGMM-UHFFFAOYSA-N
XLogP1.54
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-bicyclo[2.2.1]heptanyl)aziridine 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-(1-bicyclo[2.2.1]heptanyl)aziridine?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)aziridine (CID 87666831) is 2-(1-bicyclo[2.2.1]heptanyl)aziridine.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanyl)aziridine?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanyl)aziridine is C1CC2(C3CN3)CCC1C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanyl)aziridine?
The InChIKey is QBTPBHPUMHQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(8-6-10-8)4-2-7(1)5-9/h7-8,10H,1-6H2.
What are the key properties of 2-(1-bicyclo[2.2.1]heptanyl)aziridine?
2-(1-bicyclo[2.2.1]heptanyl)aziridine has a molecular weight of 137.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanyl)aziridine is sourced from PubChem (CID 87666831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).