(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone

C9H6ClNOS — CID 146163932

IUPAC(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(Cl)s1)n1cccc1
InChIInChI=1S/C9H6ClNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h1-6H
InChIKeyRQWLNTFOZSZQHT-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.89
Rot. Bonds1

About (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone

(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone (PubChem CID 146163932) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
PubChem CID146163932
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Name(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccc(Cl)s1)n1cccc1
InChIInChI=1S/C9H6ClNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h1-6H
InChIKeyRQWLNTFOZSZQHT-UHFFFAOYSA-N
XLogP2.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 112526561
(5-chlorothiophen-2-yl)-(1,3-thiazolidin-3-yl)methanone
CID 56826373
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745
(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907369
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone?
The IUPAC name of (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone (CID 146163932) is (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone is O=C(c1ccc(Cl)s1)n1cccc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone?
The InChIKey is RQWLNTFOZSZQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h1-6H.
What are the key properties of (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone?
(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone has a molecular weight of 211.67 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 146163932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).