spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]

C14H17N — CID 91133657

IUPACspiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]
SMILESC1=CC2(CC1)CCNc1ccccc1C2
InChIInChI=1S/C14H17N/c1-2-6-13-12(5-1)11-14(9-10-15-13)7-3-4-8-14/h1-3,5-7,15H,4,8-11H2
InChIKeySBUMWBKKAXZYHC-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.38
Rot. Bonds

About spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]

spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] (PubChem CID 91133657) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene].

Molecular Properties

Compound Namespiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]
PubChem CID91133657
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Namespiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]
SMILESC1=CC2(CC1)CCNc1ccccc1C2
InChIInChI=1S/C14H17N/c1-2-6-13-12(5-1)11-14(9-10-15-13)7-3-4-8-14/h1-3,5-7,15H,4,8-11H2
InChIKeySBUMWBKKAXZYHC-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] 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

4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
spiro[3,5-dihydro-1H-1-benzazepine-4,3'-cyclohexene]-2-one;spiro[3,5-dihydro-2H-2-benzazepine-4,3'-cyclohexene]-1-one
CID 160800258
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
2,9-diazatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
CID 102232178
spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]?
The IUPAC name of spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] (CID 91133657) is spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene].
What is the SMILES notation for spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]?
The canonical SMILES for spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] is C1=CC2(CC1)CCNc1ccccc1C2.
What is the InChIKey of spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]?
The InChIKey is SBUMWBKKAXZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-6-13-12(5-1)11-14(9-10-15-13)7-3-4-8-14/h1-3,5-7,15H,4,8-11H2.
What are the key properties of spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene]?
spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] has a molecular weight of 199.30 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,5-tetrahydro-1-benzazepine-4,3'-cyclopentene] is sourced from PubChem (CID 91133657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).