cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone

C17H21NO — CID 156752497

IUPACcyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone
SMILESCC1=c2cccc(C(=O)C3CCC3)c2=NCC(C)C1
InChIInChI=1S/C17H21NO/c1-11-9-12(2)14-7-4-8-15(16(14)18-10-11)17(19)13-5-3-6-13/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3
InChIKeyXXBZXRVMLUGZHP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.50
Rot. Bonds2

About cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone

cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone (PubChem CID 156752497) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone
PubChem CID156752497
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Namecyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone
SMILESCC1=c2cccc(C(=O)C3CCC3)c2=NCC(C)C1
InChIInChI=1S/C17H21NO/c1-11-9-12(2)14-7-4-8-15(16(14)18-10-11)17(19)13-5-3-6-13/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3
InChIKeyXXBZXRVMLUGZHP-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone 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

2-Butyl-4-methylidene-7-(3-propylhexyl)-2,3-dihydroazepine;ethane;pent-1-en-3-one
CID 142121861
1-(2-acetylcyclohexa-1,3-dien-1-yl)-2-(5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridin-2-yl)ethanone
CID 167279757
Cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone
CID 170409924
(4bR,8aR)-1-heptyl-2-methyl-4b,8a-dihydrocarbazol-3-one
CID 10938999

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone?
The IUPAC name of cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone (CID 156752497) is cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone.
What is the SMILES notation for cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone?
The canonical SMILES for cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone is CC1=c2cccc(C(=O)C3CCC3)c2=NCC(C)C1.
What is the InChIKey of cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone?
The InChIKey is XXBZXRVMLUGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-9-12(2)14-7-4-8-15(16(14)18-10-11)17(19)13-5-3-6-13/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3.
What are the key properties of cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone?
cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone is sourced from PubChem (CID 156752497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).