1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone

C14H15NO — CID 134967681

IUPAC1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2C)n1C
InChIInChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)14-9-8-13(11(2)16)15(14)3/h4-9H,1-3H3
InChIKeyHCDFABQDMPJXNK-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.20
Rot. Bonds2

About 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone

1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone (PubChem CID 134967681) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
PubChem CID134967681
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2C)n1C
InChIInChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)14-9-8-13(11(2)16)15(14)3/h4-9H,1-3H3
InChIKeyHCDFABQDMPJXNK-UHFFFAOYSA-N
XLogP3.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105467818
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CID 70028060
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
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1-methyl-5-(2-propan-2-ylphenyl)pyrrole-2-carboxylic acid
CID 43671705
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CID 43671773
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
CID 83850349
1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
CID 84782300
1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone
CID 59664118
biphenylene;propan-2-one
CID 174440223
3-methyl-4-(2-methylphenyl)-2-oxo-1H-imidazole-5-carboxylic acid
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methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
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5-(2-bromo-3-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 103481210

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone (CID 134967681) is 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone is CC(=O)c1ccc(-c2ccccc2C)n1C.
What is the InChIKey of 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone?
The InChIKey is HCDFABQDMPJXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-6-4-5-7-12(10)14-9-8-13(11(2)16)15(14)3/h4-9H,1-3H3.
What are the key properties of 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone?
1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 134967681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).