cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone

C17H22N2O2 — CID 114337075

IUPACcyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-17(13-7-2-1-3-8-13)19-12-6-10-15(18-21)14-9-4-5-11-16(14)19/h4-5,9,11,13,21H,1-3,6-8,10,12H2/b18-15-
InChIKeyINGAWGHSAQCJRZ-SDXDJHTJSA-N
MW286.37 g/mol
LogP3.57
Rot. Bonds1

About cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone

cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone (PubChem CID 114337075) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
PubChem CID114337075
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Namecyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-17(13-7-2-1-3-8-13)19-12-6-10-15(18-21)14-9-4-5-11-16(14)19/h4-5,9,11,13,21H,1-3,6-8,10,12H2/b18-15-
InChIKeyINGAWGHSAQCJRZ-SDXDJHTJSA-N
XLogP3.57
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-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

[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(oxan-4-yl)methanone
CID 114337052
(1,1-dioxothiolan-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77050054
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
CID 77033492
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114337091
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
1-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-3-methylsulfanylpropan-1-one
CID 114337056
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
CID 114337141
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone (CID 114337075) is cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone is O=C(C1CCCCC1)N1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone?
The InChIKey is INGAWGHSAQCJRZ-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(13-7-2-1-3-8-13)19-12-6-10-15(18-21)14-9-4-5-11-16(14)19/h4-5,9,11,13,21H,1-3,6-8,10,12H2/b18-15-.
What are the key properties of cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone?
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone is sourced from PubChem (CID 114337075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).