spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one

C15H19NO — CID 57173865

IUPACspiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
SMILESO=C1CCC2(CCCCC2)c2ccccc2N1
InChIInChI=1S/C15H19NO/c17-14-8-11-15(9-4-1-5-10-15)12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-11H2,(H,16,17)
InChIKeyRNANMNPIYJOAGI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.62
Rot. Bonds

About spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one

spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one (PubChem CID 57173865) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one.

Molecular Properties

Compound Namespiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
PubChem CID57173865
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namespiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
SMILESO=C1CCC2(CCCCC2)c2ccccc2N1
InChIInChI=1S/C15H19NO/c17-14-8-11-15(9-4-1-5-10-15)12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-11H2,(H,16,17)
InChIKeyRNANMNPIYJOAGI-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene-12,1'-cyclopentane]-9-one
CID 10685000
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
1'-(3,3-dimethylbutyl)spiro[3,4-dihydro-1H-1-benzazepine-5,4'-piperidine]-2-one
CID 24965479
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclohexane]-2-one
CID 79291428
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
CID 160974546
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylic acid
CID 68828702
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one?
The IUPAC name of spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one (CID 57173865) is spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one.
What is the SMILES notation for spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one?
The canonical SMILES for spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one is O=C1CCC2(CCCCC2)c2ccccc2N1.
What is the InChIKey of spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one?
The InChIKey is RNANMNPIYJOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-14-8-11-15(9-4-1-5-10-15)12-6-2-3-7-13(12)16-14/h2-3,6-7H,1,4-5,8-11H2,(H,16,17).
What are the key properties of spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one?
spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one is sourced from PubChem (CID 57173865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).