6-methoxy-3,4-dihydro-1-benzazepin-2-one

C11H11NO2 — CID 146170528

IUPAC6-methoxy-3,4-dihydro-1-benzazepin-2-one
SMILESCOc1cccc2c1=CCCC(=O)N=2
InChIInChI=1S/C11H11NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3-6H,2,7H2,1H3
InChIKeyDRMBRISDJOVCJR-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.42
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1-benzazepin-2-one

6-methoxy-3,4-dihydro-1-benzazepin-2-one (PubChem CID 146170528) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1-benzazepin-2-one
PubChem CID146170528
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-methoxy-3,4-dihydro-1-benzazepin-2-one
SMILESCOc1cccc2c1=CCCC(=O)N=2
InChIInChI=1S/C11H11NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3-6H,2,7H2,1H3
InChIKeyDRMBRISDJOVCJR-UHFFFAOYSA-N
XLogP0.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxybenzazepin-2-one
CID 20137812
8-Methoxy-1-benzazepin-2-one
CID 57417925
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide
CID 91419256
5-Methoxy-3-prop-2-enylindol-2-one
CID 168156283
lithium N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083125
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083126
6-Methoxy-3-(oxomethylidene)quinolin-2-one
CID 77620999
6-methoxy-3-methyl-8aH-isoquinolin-1-one
CID 85438162
6-Imino-4-methoxycyclohexa-2,4-diene-1-carboxamide
CID 176448590

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1-benzazepin-2-one?
The IUPAC name of 6-methoxy-3,4-dihydro-1-benzazepin-2-one (CID 146170528) is 6-methoxy-3,4-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1-benzazepin-2-one?
The canonical SMILES for 6-methoxy-3,4-dihydro-1-benzazepin-2-one is COc1cccc2c1=CCCC(=O)N=2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1-benzazepin-2-one?
The InChIKey is DRMBRISDJOVCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3-6H,2,7H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-1-benzazepin-2-one?
6-methoxy-3,4-dihydro-1-benzazepin-2-one has a molecular weight of 189.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 146170528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).