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

C14H11NOS — CID 15591628

IUPAC(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone
SMILESCc1csc2[nH]cc(C(=O)c3ccccc3)c12
InChIInChI=1S/C14H11NOS/c1-9-8-17-14-12(9)11(7-15-14)13(16)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyTYOQDEZZRSQYLK-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.77
Rot. Bonds2

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

(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone (PubChem CID 15591628) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone
PubChem CID15591628
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone
SMILESCc1csc2[nH]cc(C(=O)c3ccccc3)c12
InChIInChI=1S/C14H11NOS/c1-9-8-17-14-12(9)11(7-15-14)13(16)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyTYOQDEZZRSQYLK-UHFFFAOYSA-N
XLogP3.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone?
The IUPAC name of (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone (CID 15591628) is (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone is Cc1csc2[nH]cc(C(=O)c3ccccc3)c12.
What is the InChIKey of (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone?
The InChIKey is TYOQDEZZRSQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-8-17-14-12(9)11(7-15-14)13(16)10-5-3-2-4-6-10/h2-8,15H,1H3.
What are the key properties of (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone?
(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone has a molecular weight of 241.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)-phenylmethanone is sourced from PubChem (CID 15591628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).