2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone

C8H12N2O — CID 82594983

IUPAC2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCNCC(=O)c1cccn1C
InChIInChI=1S/C8H12N2O/c1-9-6-8(11)7-4-3-5-10(7)2/h3-5,9H,6H2,1-2H3
InChIKeyMXPLUOWGDPCPGK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.43
Rot. Bonds3

About 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone

2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 82594983) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID82594983
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCNCC(=O)c1cccn1C
InChIInChI=1S/C8H12N2O/c1-9-6-8(11)7-4-3-5-10(7)2/h3-5,9H,6H2,1-2H3
InChIKeyMXPLUOWGDPCPGK-UHFFFAOYSA-N
XLogP0.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrol-2-yl)pentane-1,3,4-trione
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[2-(1-methylpyrrol-2-yl)-2-oxoethyl]phosphonic acid
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2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 82006913
1-(1-methylpyrrol-2-yl)-2-prop-2-enoxyethanone
CID 62029483
3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
CID 55158414

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone (CID 82594983) is 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone is CNCC(=O)c1cccn1C.
What is the InChIKey of 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is MXPLUOWGDPCPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-6-8(11)7-4-3-5-10(7)2/h3-5,9H,6H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone?
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 82594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).