1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone

C14H16N2O — CID 3028306

IUPAC1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCNc1c(-c2ccccc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H16N2O/c1-9-12(10(2)17)14(15-3)13(16-9)11-7-5-4-6-8-11/h4-8,15-16H,1-3H3
InChIKeyOUJYIXOLUZPMPI-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone

1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone (PubChem CID 3028306) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone
PubChem CID3028306
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCNc1c(-c2ccccc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H16N2O/c1-9-12(10(2)17)14(15-3)13(16-9)11-7-5-4-6-8-11/h4-8,15-16H,1-3H3
InChIKeyOUJYIXOLUZPMPI-UHFFFAOYSA-N
XLogP3.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-nitro-5-phenyl-1H-pyrrol-3-yl)ethanone
CID 14616639
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
methyl 2-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxoacetate
CID 122401334
4-acetyl-3-benzyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688957
1-[2,4-dimethyl-5-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1H-pyrrol-3-yl]ethanone
CID 9398584
2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)benzoic acid
CID 139827312
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
ethyl 4-acetyloxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 14569474
tert-butyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 46769597
(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 118344835
1-acetyl-2-methyl-3H-benzo[e]indole-4,5-dione
CID 13177326
1-(2-methoxy-4,5-diphenyl-1H-pyrrol-3-yl)ethanone
CID 122217816

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone (CID 3028306) is 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone is CNc1c(-c2ccccc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is OUJYIXOLUZPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-12(10(2)17)14(15-3)13(16-9)11-7-5-4-6-8-11/h4-8,15-16H,1-3H3.
What are the key properties of 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone?
1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 228.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 3028306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).