7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine

C13H17N — CID 87166617

IUPAC7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine
SMILESC1=CCCCC(C2=CC=CCCN2)=C1
InChIInChI=1S/C13H17N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h1,3-4,6,8,10,14H,2,5,7,9,11H2
InChIKeyLGDYMQQKJKHIAK-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.09
Rot. Bonds1

About 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine

7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine (PubChem CID 87166617) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine.

Molecular Properties

Compound Name7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine
PubChem CID87166617
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine
SMILESC1=CCCCC(C2=CC=CCCN2)=C1
InChIInChI=1S/C13H17N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h1,3-4,6,8,10,14H,2,5,7,9,11H2
InChIKeyLGDYMQQKJKHIAK-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-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

Related Compounds

5,6,7-Tetrahydroindole
CID 19835372
8-Hexahydroquinoline
CID 20226183
1,2,5,6,7,8-Hexahydroquinoline
CID 53784000
6,7,8,9-Tetrahydro-1-benzazepine
CID 67639352
Hexahydrocyclohept[b]indole
CID 87440723
Tetra-hydrocyclopenta[b]azepine
CID 129742811
(4E)-4-methyl-3-methylidene-N-[1-(6-propylcyclohexa-1,5-dien-1-yl)ethenyl]hepta-4,6-dien-1-amine
CID 134223126
N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
CID 134224990
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
5,5-Difluoro-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),7,9-triene
CID 142243520
6-(2-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine
CID 146351401

Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine?
The IUPAC name of 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine (CID 87166617) is 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine.
What is the SMILES notation for 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine?
The canonical SMILES for 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine is C1=CCCCC(C2=CC=CCCN2)=C1.
What is the InChIKey of 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine?
The InChIKey is LGDYMQQKJKHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h1,3-4,6,8,10,14H,2,5,7,9,11H2.
What are the key properties of 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine?
7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine has a molecular weight of 187.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine is sourced from PubChem (CID 87166617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).