6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine

C17H17N — CID 8966

💊View drug profile → azapetine
IUPAC6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESC=CCN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
InChIKeyNYGHGTMKALXFIA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.86
Rot. Bonds2

About 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine

6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine (PubChem CID 8966) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine.

Molecular Properties

Compound Name6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
PubChem CID8966
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESC=CCN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
InChIKeyNYGHGTMKALXFIA-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amitriptyline
CID 2160
Cyproheptadine
CID 2913
Phencyclidine
CID 6468
Cyclobenzaprine
CID 2895
Benzphetamine
CID 5311017
Cyclobenzaprine Hydrochloride
CID 22576
Naftifine
CID 47641
Cyproheptadine Hydrochloride
CID 13770
Setiptiline
CID 5205
Phencyclidine Hydrochloride
CID 9795678
Rolicyclidine
CID 62436
Butriptyline
CID 21772

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine?
The IUPAC name of 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine (CID 8966) is 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine.
What is the SMILES notation for 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine?
The canonical SMILES for 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine is C=CCN1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine?
The InChIKey is NYGHGTMKALXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2.
What are the key properties of 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine?
6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine has a molecular weight of 235.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine is sourced from PubChem (CID 8966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).