1-(4-ethyl-1-methylpyrrol-2-yl)ethanone

C9H13NO — CID 58122822

IUPAC1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
SMILESCCc1cc(C(C)=O)n(C)c1
InChIInChI=1S/C9H13NO/c1-4-8-5-9(7(2)11)10(3)6-8/h5-6H,4H2,1-3H3
InChIKeyBBAVIXKZWZJTRD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.79
Rot. Bonds2

About 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone

1-(4-ethyl-1-methylpyrrol-2-yl)ethanone (PubChem CID 58122822) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
PubChem CID58122822
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
SMILESCCc1cc(C(C)=O)n(C)c1
InChIInChI=1S/C9H13NO/c1-4-8-5-9(7(2)11)10(3)6-8/h5-6H,4H2,1-3H3
InChIKeyBBAVIXKZWZJTRD-UHFFFAOYSA-N
XLogP1.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
CID 142228577
methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate
CID 170888773
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
1-[4-[1-(disulfanyl)propan-2-ylamino]-1-methylpyrrol-2-yl]ethanone
CID 166738655
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 58357323
4-acetyl-1-(4-ethylphenyl)pyrrole-2-carboxylic acid
CID 114603121
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404
methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 157051092
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone (CID 58122822) is 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone is CCc1cc(C(C)=O)n(C)c1.
What is the InChIKey of 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone?
The InChIKey is BBAVIXKZWZJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-5-9(7(2)11)10(3)6-8/h5-6H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone?
1-(4-ethyl-1-methylpyrrol-2-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 58122822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).