1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone

C10H9NOS — CID 138973547

IUPAC1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C10H9NOS/c1-7(12)9-4-5-10(13-9)8-3-2-6-11-8/h2-6,11H,1H3
InChIKeyTWSHJQKYQZTGOZ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.95
Rot. Bonds2

About 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone

1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone (PubChem CID 138973547) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone
PubChem CID138973547
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C10H9NOS/c1-7(12)9-4-5-10(13-9)8-3-2-6-11-8/h2-6,11H,1H3
InChIKeyTWSHJQKYQZTGOZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone (CID 138973547) is 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc[nH]2)s1.
What is the InChIKey of 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone?
The InChIKey is TWSHJQKYQZTGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7(12)9-4-5-10(13-9)8-3-2-6-11-8/h2-6,11H,1H3.
What are the key properties of 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone?
1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone has a molecular weight of 191.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-pyrrol-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 138973547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).