2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one

C10H12BrNOS — CID 82378881

IUPAC2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one
SMILESCC1Cc2sc(Br)cc2C(=O)CN1C
InChIInChI=1S/C10H12BrNOS/c1-6-3-9-7(4-10(11)14-9)8(13)5-12(6)2/h4,6H,3,5H2,1-2H3
InChIKeyZJFCZQUJDYSYMU-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.57
Rot. Bonds

About 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one

2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one (PubChem CID 82378881) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one.

Molecular Properties

Compound Name2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one
PubChem CID82378881
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one
SMILESCC1Cc2sc(Br)cc2C(=O)CN1C
InChIInChI=1S/C10H12BrNOS/c1-6-3-9-7(4-10(11)14-9)8(13)5-12(6)2/h4,6H,3,5H2,1-2H3
InChIKeyZJFCZQUJDYSYMU-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-oxo-6,7-dihydro-5H-1-benzothiophene-6-carboxylic acid
CID 83920526
methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
CID 156693725
2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 84705603
tert-butyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
CID 156693719
2-bromo-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 131606917
6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one
CID 134913587
6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide
CID 118218035
2-bromo-5-methyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
CID 82380146
2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one
CID 84713299
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 92954178
2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82384737
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
CID 82690207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one?
The IUPAC name of 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one (CID 82378881) is 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one.
What is the SMILES notation for 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one?
The canonical SMILES for 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one is CC1Cc2sc(Br)cc2C(=O)CN1C.
What is the InChIKey of 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one?
The InChIKey is ZJFCZQUJDYSYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-6-3-9-7(4-10(11)14-9)8(13)5-12(6)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one?
2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one has a molecular weight of 274.18 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one is sourced from PubChem (CID 82378881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).