7-methoxy-4H-thieno[2,3-c]azepin-8-one

C9H9NO2S — CID 125495743

IUPAC7-methoxy-4H-thieno[2,3-c]azepin-8-one
SMILESCON1C=CCc2ccsc2C1=O
InChIInChI=1S/C9H9NO2S/c1-12-10-5-2-3-7-4-6-13-8(7)9(10)11/h2,4-6H,3H2,1H3
InChIKeyJDVUBGMHNDYTCI-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.82
Rot. Bonds1

About 7-methoxy-4H-thieno[2,3-c]azepin-8-one

7-methoxy-4H-thieno[2,3-c]azepin-8-one (PubChem CID 125495743) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-methoxy-4H-thieno[2,3-c]azepin-8-one.

Molecular Properties

Compound Name7-methoxy-4H-thieno[2,3-c]azepin-8-one
PubChem CID125495743
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name7-methoxy-4H-thieno[2,3-c]azepin-8-one
SMILESCON1C=CCc2ccsc2C1=O
InChIInChI=1S/C9H9NO2S/c1-12-10-5-2-3-7-4-6-13-8(7)9(10)11/h2,4-6H,3H2,1H3
InChIKeyJDVUBGMHNDYTCI-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-4H-thieno[2,3-c]azepin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4H-thieno[2,3-c]azepin-8-one?
The IUPAC name of 7-methoxy-4H-thieno[2,3-c]azepin-8-one (CID 125495743) is 7-methoxy-4H-thieno[2,3-c]azepin-8-one.
What is the SMILES notation for 7-methoxy-4H-thieno[2,3-c]azepin-8-one?
The canonical SMILES for 7-methoxy-4H-thieno[2,3-c]azepin-8-one is CON1C=CCc2ccsc2C1=O.
What is the InChIKey of 7-methoxy-4H-thieno[2,3-c]azepin-8-one?
The InChIKey is JDVUBGMHNDYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-10-5-2-3-7-4-6-13-8(7)9(10)11/h2,4-6H,3H2,1H3.
What are the key properties of 7-methoxy-4H-thieno[2,3-c]azepin-8-one?
7-methoxy-4H-thieno[2,3-c]azepin-8-one has a molecular weight of 195.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4H-thieno[2,3-c]azepin-8-one is sourced from PubChem (CID 125495743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).