9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one

C12H15NO2 — CID 82396298

IUPAC9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESCOc1ccc(C)c2c1NCCCC2=O
InChIInChI=1S/C12H15NO2/c1-8-5-6-10(15-2)12-11(8)9(14)4-3-7-13-12/h5-6,13H,3-4,7H2,1-2H3
InChIKeySZMSJCVSTXIEEH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.39
Rot. Bonds1

About 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one

9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one (PubChem CID 82396298) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one.

Molecular Properties

Compound Name9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
PubChem CID82396298
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESCOc1ccc(C)c2c1NCCCC2=O
InChIInChI=1S/C12H15NO2/c1-8-5-6-10(15-2)12-11(8)9(14)4-3-7-13-12/h5-6,13H,3-4,7H2,1-2H3
InChIKeySZMSJCVSTXIEEH-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-8-methoxy-2,3-dihydro-1H-quinolin-4-one
CID 15045572
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
9-methoxy-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217600
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
4-methoxy-7-methyl-2,3-dihydroisoindol-1-one
CID 130064642
N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
CID 165450684
6-methoxy-8,9-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82158675
5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 86723714
5-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 84651445
8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
CID 84656610

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The IUPAC name of 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one (CID 82396298) is 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one.
What is the SMILES notation for 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The canonical SMILES for 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one is COc1ccc(C)c2c1NCCCC2=O.
What is the InChIKey of 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The InChIKey is SZMSJCVSTXIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-5-6-10(15-2)12-11(8)9(14)4-3-7-13-12/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one has a molecular weight of 205.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one is sourced from PubChem (CID 82396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).