azane;bicyclo[2.2.1]hept-1-ene

C7H13N — CID 18468857

IUPACazane;bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CCC(C1)C2.N
InChIInChI=1S/C7H10.H3N/c1-2-7-4-3-6(1)5-7;/h1,7H,2-5H2;1H3
InChIKeyVZRZCMSFCWZRDP-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.28
Rot. Bonds

About azane;bicyclo[2.2.1]hept-1-ene

azane;bicyclo[2.2.1]hept-1-ene (PubChem CID 18468857) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is azane;bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Nameazane;bicyclo[2.2.1]hept-1-ene
PubChem CID18468857
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Nameazane;bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CCC(C1)C2.N
InChIInChI=1S/C7H10.H3N/c1-2-7-4-3-6(1)5-7;/h1,7H,2-5H2;1H3
InChIKeyVZRZCMSFCWZRDP-UHFFFAOYSA-N
XLogP2.28
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;bicyclo[2.2.1]hept-1-ene 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 azane;bicyclo[2.2.1]hept-1-ene?
The IUPAC name of azane;bicyclo[2.2.1]hept-1-ene (CID 18468857) is azane;bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for azane;bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for azane;bicyclo[2.2.1]hept-1-ene is C1=C2CCC(C1)C2.N.
What is the InChIKey of azane;bicyclo[2.2.1]hept-1-ene?
The InChIKey is VZRZCMSFCWZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.H3N/c1-2-7-4-3-6(1)5-7;/h1,7H,2-5H2;1H3.
What are the key properties of azane;bicyclo[2.2.1]hept-1-ene?
azane;bicyclo[2.2.1]hept-1-ene has a molecular weight of 111.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 18468857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).