1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone

C16H20N2O — CID 61036154

IUPAC1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
SMILESCc1cc(C)cc(N(C)CC(=O)c2cccn2C)c1
InChIInChI=1S/C16H20N2O/c1-12-8-13(2)10-14(9-12)18(4)11-16(19)15-6-5-7-17(15)3/h5-10H,11H2,1-4H3
InChIKeyREBCVINEBGCBPR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone

1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone (PubChem CID 61036154) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
PubChem CID61036154
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
SMILESCc1cc(C)cc(N(C)CC(=O)c2cccn2C)c1
InChIInChI=1S/C16H20N2O/c1-12-8-13(2)10-14(9-12)18(4)11-16(19)15-6-5-7-17(15)3/h5-10H,11H2,1-4H3
InChIKeyREBCVINEBGCBPR-UHFFFAOYSA-N
XLogP2.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 124628912
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 43226618
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 112692203
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(1-methylpyrrol-2-yl)ethanone
CID 60968344
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 17426087
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
CID 60677016
N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide
CID 47294515
3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
CID 55158414
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010269

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone (CID 61036154) is 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone is Cc1cc(C)cc(N(C)CC(=O)c2cccn2C)c1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
The InChIKey is REBCVINEBGCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-8-13(2)10-14(9-12)18(4)11-16(19)15-6-5-7-17(15)3/h5-10H,11H2,1-4H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone?
1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone has a molecular weight of 256.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone is sourced from PubChem (CID 61036154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).