7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine

C9H15N — CID 170098821

IUPAC7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
SMILESC/C=C/C1C=CCCCN1
InChIInChI=1S/C9H15N/c1-2-6-9-7-4-3-5-8-10-9/h2,4,6-7,9-10H,3,5,8H2,1H3/b6-2+
InChIKeyFDNTYLUZSBUZLV-QHHAFSJGSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds1

About 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine

7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine (PubChem CID 170098821) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine.

Molecular Properties

Compound Name7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
PubChem CID170098821
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
SMILESC/C=C/C1C=CCCCN1
InChIInChI=1S/C9H15N/c1-2-6-9-7-4-3-5-8-10-9/h2,4,6-7,9-10H,3,5,8H2,1H3/b6-2+
InChIKeyFDNTYLUZSBUZLV-QHHAFSJGSA-N
XLogP1.87
TPSA12.03 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-[(E)-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 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The IUPAC name of 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine (CID 170098821) is 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine.
What is the SMILES notation for 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The canonical SMILES for 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine is C/C=C/C1C=CCCCN1.
What is the InChIKey of 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
The InChIKey is FDNTYLUZSBUZLV-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H15N/c1-2-6-9-7-4-3-5-8-10-9/h2,4,6-7,9-10H,3,5,8H2,1H3/b6-2+.
What are the key properties of 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine?
7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-prop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine is sourced from PubChem (CID 170098821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).