2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

C12H20N2O — CID 43226618

IUPAC2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCCCN(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyRQJBDYWHNZTJSU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43226618) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43226618
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCCCN(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyRQJBDYWHNZTJSU-UHFFFAOYSA-N
XLogP1.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 112692203
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
CID 60677016
1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 61036154
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(1-methylpyrrol-2-yl)ethanone
CID 60968344
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
2-(4-tert-butyl-N-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 124628912
1-(1-methylpyrrol-2-yl)hept-2-yn-1-one
CID 101466665
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 54978684
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031
N'-butyl-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]ethane-1,2-diamine
CID 115641679

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (CID 43226618) is 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is CCCCN(C)CC(=O)c1cccn1C.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is RQJBDYWHNZTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43226618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).