1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one

C16H23NO — CID 126576001

IUPAC1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2
InChIInChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3
InChIKeyKDVFILIZIPFYLE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.89
Rot. Bonds3

About 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one

1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 126576001) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID126576001
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2
InChIInChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3
InChIKeyKDVFILIZIPFYLE-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-methyl-3-pentan-3-yl-9-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 163960465
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 83853018
4-methyl-6-[1-(methylamino)butan-2-yl]-1,4-benzoxazin-3-one
CID 116964717
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313
7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117336841
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one (CID 126576001) is 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one is CCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2.
What is the InChIKey of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is KDVFILIZIPFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 126576001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).