7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

C11H13NO2 — CID 4674196

IUPAC7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyGZRSCYDBGFKKHY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.97
Rot. Bonds1

About 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 4674196) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID4674196
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyGZRSCYDBGFKKHY-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 4674196) is 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is COc1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is GZRSCYDBGFKKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 4674196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).