1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone

C9H9NOS — CID 15591627

IUPAC1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone
SMILESCC(=O)c1c[nH]c2scc(C)c12
InChIInChI=1S/C9H9NOS/c1-5-4-12-9-8(5)7(3-10-9)6(2)11/h3-4,10H,1-2H3
InChIKeySVXGBHDSSNFEOQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.74
Rot. Bonds1

About 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone

1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone (PubChem CID 15591627) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone
PubChem CID15591627
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone
SMILESCC(=O)c1c[nH]c2scc(C)c12
InChIInChI=1S/C9H9NOS/c1-5-4-12-9-8(5)7(3-10-9)6(2)11/h3-4,10H,1-2H3
InChIKeySVXGBHDSSNFEOQ-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyl-1H-pyrrol-3-yl)(2-thienyl)methanone
CID 7285300
6h-Thieno[2,3-b]pyrrole-3-carbaldehyde
CID 12257204
(4-fluorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591633
2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)-ethanone
CID 66865257
(4-fluorophenyl)-(6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 141553248
(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591634
N,N-dimethyl-2-(6H-thieno[2,3-b]pyrrol-4-yl]acetamide
CID 10846050
(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591626
(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone
CID 15591628
(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591629
(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591630
(3-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
CID 15591631

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The IUPAC name of 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone (CID 15591627) is 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The canonical SMILES for 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone is CC(=O)c1c[nH]c2scc(C)c12.
What is the InChIKey of 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The InChIKey is SVXGBHDSSNFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-4-12-9-8(5)7(3-10-9)6(2)11/h3-4,10H,1-2H3.
What are the key properties of 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone has a molecular weight of 179.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)ethanone is sourced from PubChem (CID 15591627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).