5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine

C12H19N — CID 134232220

IUPAC5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
SMILESC/C=C\C1=C(/C=C\C)CNCCC1
InChIInChI=1S/C12H19N/c1-3-6-11-8-5-9-13-10-12(11)7-4-2/h3-4,6-7,13H,5,8-10H2,1-2H3/b6-3-,7-4-
InChIKeyWNWDZYBLVBQUEH-VKOMYYDGSA-N
MW177.29 g/mol
LogP2.82
Rot. Bonds2

About 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine

5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine (PubChem CID 134232220) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine.

Molecular Properties

Compound Name5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
PubChem CID134232220
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
SMILESC/C=C\C1=C(/C=C\C)CNCCC1
InChIInChI=1S/C12H19N/c1-3-6-11-8-5-9-13-10-12(11)7-4-2/h3-4,6-7,13H,5,8-10H2,1-2H3/b6-3-,7-4-
InChIKeyWNWDZYBLVBQUEH-VKOMYYDGSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine 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 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The IUPAC name of 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine (CID 134232220) is 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine.
What is the SMILES notation for 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The canonical SMILES for 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine is C/C=C\C1=C(/C=C\C)CNCCC1.
What is the InChIKey of 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The InChIKey is WNWDZYBLVBQUEH-VKOMYYDGSA-N. The full InChI is InChI=1S/C12H19N/c1-3-6-11-8-5-9-13-10-12(11)7-4-2/h3-4,6-7,13H,5,8-10H2,1-2H3/b6-3-,7-4-.
What are the key properties of 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine has a molecular weight of 177.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine is sourced from PubChem (CID 134232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).