8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one

C16H21NO — CID 82159405

IUPAC8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21NO/c18-16-15-11-14(12-5-2-1-3-6-12)9-8-13(15)7-4-10-17-16/h8-9,11-12H,1-7,10H2,(H,17,18)
InChIKeyFGOBUHNBZFSUIZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.41
Rot. Bonds1

About 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 82159405) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID82159405
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21NO/c18-16-15-11-14(12-5-2-1-3-6-12)9-8-13(15)7-4-10-17-16/h8-9,11-12H,1-7,10H2,(H,17,18)
InChIKeyFGOBUHNBZFSUIZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159815
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
8-[chloro(cyclohexyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526446
8-[amino(7-bicyclo[4.1.0]heptanyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525589
3,6-dicyclohexyl-9H-fluorene
CID 87146028
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 87840438
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384
8-[amino(oxan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525599
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
8-piperazin-1-yl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 83853292

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 82159405) is 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is FGOBUHNBZFSUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-15-11-14(12-5-2-1-3-6-12)9-8-13(15)7-4-10-17-16/h8-9,11-12H,1-7,10H2,(H,17,18).
What are the key properties of 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 82159405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).