1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone

C11H11NOS — CID 134861828

IUPAC1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccn2C)s1
InChIInChI=1S/C11H11NOS/c1-8(13)10-5-6-11(14-10)9-4-3-7-12(9)2/h3-7H,1-2H3
InChIKeyNDIQVIVGHDFEOE-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.96
Rot. Bonds2

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

1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone (PubChem CID 134861828) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone
PubChem CID134861828
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccn2C)s1
InChIInChI=1S/C11H11NOS/c1-8(13)10-5-6-11(14-10)9-4-3-7-12(9)2/h3-7H,1-2H3
InChIKeyNDIQVIVGHDFEOE-UHFFFAOYSA-N
XLogP2.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6244095
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CID 1491223
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CID 24893969
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CID 16309063
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CID 15778480
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CID 604714
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CID 10036789

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone (CID 134861828) is 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccn2C)s1.
What is the InChIKey of 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone?
The InChIKey is NDIQVIVGHDFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8(13)10-5-6-11(14-10)9-4-3-7-12(9)2/h3-7H,1-2H3.
What are the key properties of 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone?
1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone has a molecular weight of 205.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 134861828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).