1H-pyrrol-2-yl(thiophen-2-yl)methanone

C9H7NOS — CID 19914029

IUPAC1H-pyrrol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cccs1
InChIInChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-6,10H
InChIKeyAXJJTTNDICIXGV-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.31
Rot. Bonds2

About 1H-pyrrol-2-yl(thiophen-2-yl)methanone

1H-pyrrol-2-yl(thiophen-2-yl)methanone (PubChem CID 19914029) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1H-pyrrol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1H-pyrrol-2-yl(thiophen-2-yl)methanone
PubChem CID19914029
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1H-pyrrol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cccs1
InChIInChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-6,10H
InChIKeyAXJJTTNDICIXGV-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 2427005
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
2-(4-methylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 2573509
(E)-3-(3-Methyl-thiophen-2-yl)-1-pyridin-2-yl-propenone
CID 10036789
(E)-1-Pyridin-2-yl-3-thiophen-3-yl-propenone
CID 11535860
2,2,2-Trifluoro-1-(5-(2-thienyl)pyrrol-2-yl)ethan-1-one
CID 3127251
8H-Thieno[2,3-d]pyrrolo[1,2-a]pyrrol-8-one
CID 13070727
Thiophene, 2-(2-pyrrolyl)-
CID 142950
2-(1H-pyrrole-2-carbonyl)-1H-pyrrole
CID 255663
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11137952
4-propionyl-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 3591105

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 1H-pyrrol-2-yl(thiophen-2-yl)methanone (CID 19914029) is 1H-pyrrol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1H-pyrrol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1H-pyrrol-2-yl(thiophen-2-yl)methanone is O=C(c1ccc[nH]1)c1cccs1.
What is the InChIKey of 1H-pyrrol-2-yl(thiophen-2-yl)methanone?
The InChIKey is AXJJTTNDICIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h1-6,10H.
What are the key properties of 1H-pyrrol-2-yl(thiophen-2-yl)methanone?
1H-pyrrol-2-yl(thiophen-2-yl)methanone has a molecular weight of 177.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 19914029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).