8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione

C16H19NO2 — CID 82159815

IUPAC8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESO=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19)
InChIKeyHMTBTEIUFNDOQU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.94
Rot. Bonds1

About 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione

8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione (PubChem CID 82159815) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione.

Molecular Properties

Compound Name8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
PubChem CID82159815
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
SMILESO=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1
InChIInChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19)
InChIKeyHMTBTEIUFNDOQU-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione 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

6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
3,6-dicyclohexyl-9H-fluorene
CID 87146028
5-cyclohexyl-3-methylidene-1H-indol-2-one
CID 168982745
5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 87840438
carbonic acid;5-cyclobutyl-1H-indole-2,3-dione
CID 67154056
7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
CID 174638632
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 18472389
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
CID 82120778
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The IUPAC name of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione (CID 82159815) is 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione.
What is the SMILES notation for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The canonical SMILES for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione is O=C1CCc2ccc(C3CCCCC3)cc2C(=O)N1.
What is the InChIKey of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
The InChIKey is HMTBTEIUFNDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-9-8-12-6-7-13(10-14(12)16(19)17-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18,19).
What are the key properties of 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione?
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione has a molecular weight of 257.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione is sourced from PubChem (CID 82159815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).