(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone

C13H8ClNOS — CID 70796278

IUPAC(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc2cc[nH]c2s1
InChIInChI=1S/C13H8ClNOS/c14-10-3-1-8(2-4-10)12(16)11-7-9-5-6-15-13(9)17-11/h1-7,15H
InChIKeyRFUDRUFYNCLOGS-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.11
Rot. Bonds2

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

(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 70796278) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID70796278
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc2cc[nH]c2s1
InChIInChI=1S/C13H8ClNOS/c14-10-3-1-8(2-4-10)12(16)11-7-9-5-6-15-13(9)17-11/h1-7,15H
InChIKeyRFUDRUFYNCLOGS-UHFFFAOYSA-N
XLogP4.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone (CID 70796278) is (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone is O=C(c1ccc(Cl)cc1)c1cc2cc[nH]c2s1.
What is the InChIKey of (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is RFUDRUFYNCLOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-10-3-1-8(2-4-10)12(16)11-7-9-5-6-15-13(9)17-11/h1-7,15H.
What are the key properties of (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
(4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 261.73 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 70796278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).