1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone

C15H18N2O — CID 43794443

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
SMILESCc1cc(C(=O)CN(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H18N2O/c1-11-9-14(12(2)16-11)15(18)10-17(3)13-7-5-4-6-8-13/h4-9,16H,10H2,1-3H3
InChIKeyUEGMXDSDVOLEHS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone (PubChem CID 43794443) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
PubChem CID43794443
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
SMILESCc1cc(C(=O)CN(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H18N2O/c1-11-9-14(12(2)16-11)15(18)10-17(3)13-7-5-4-6-8-13/h4-9,16H,10H2,1-3H3
InChIKeyUEGMXDSDVOLEHS-UHFFFAOYSA-N
XLogP2.95
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone
CID 86899539
2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 64584824
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 60713368
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
CID 43227426
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 67574339
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797473
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 102995140

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone (CID 43794443) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone is Cc1cc(C(=O)CN(C)c2ccccc2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone?
The InChIKey is UEGMXDSDVOLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-14(12(2)16-11)15(18)10-17(3)13-7-5-4-6-8-13/h4-9,16H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone is sourced from PubChem (CID 43794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).