(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

C11H11NOS — CID 65237167

IUPAC(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc[nH]c2)sc1C
InChIInChI=1S/C11H11NOS/c1-7-5-10(14-8(7)2)11(13)9-3-4-12-6-9/h3-6,12H,1-2H3
InChIKeyCIAKGMCTZGRGSJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.92
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 65237167) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID65237167
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc[nH]c2)sc1C
InChIInChI=1S/C11H11NOS/c1-7-5-10(14-8(7)2)11(13)9-3-4-12-6-9/h3-6,12H,1-2H3
InChIKeyCIAKGMCTZGRGSJ-UHFFFAOYSA-N
XLogP2.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
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CID 65237582
(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
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(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
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(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
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(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
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(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone
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(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
6-(4,5-dimethylthiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 65237117
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
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(4,5-dimethylthiophen-2-yl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (CID 65237167) is (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is Cc1cc(C(=O)c2cc[nH]c2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is CIAKGMCTZGRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-5-10(14-8(7)2)11(13)9-3-4-12-6-9/h3-6,12H,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 205.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 65237167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).