2-(methylamino)-1-pyrrol-1-ylethanone

C7H10N2O — CID 141121778

IUPAC2-(methylamino)-1-pyrrol-1-ylethanone
SMILESCNCC(=O)n1cccc1
InChIInChI=1S/C7H10N2O/c1-8-6-7(10)9-4-2-3-5-9/h2-5,8H,6H2,1H3
InChIKeyBBQYYXDMGBJGJL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.35
Rot. Bonds2

About 2-(methylamino)-1-pyrrol-1-ylethanone

2-(methylamino)-1-pyrrol-1-ylethanone (PubChem CID 141121778) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(methylamino)-1-pyrrol-1-ylethanone.

Molecular Properties

Compound Name2-(methylamino)-1-pyrrol-1-ylethanone
PubChem CID141121778
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(methylamino)-1-pyrrol-1-ylethanone
SMILESCNCC(=O)n1cccc1
InChIInChI=1S/C7H10N2O/c1-8-6-7(10)9-4-2-3-5-9/h2-5,8H,6H2,1H3
InChIKeyBBQYYXDMGBJGJL-UHFFFAOYSA-N
XLogP0.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one
CID 164595891
3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
CID 176777495
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
CID 107220659
1-pyrrol-1-ylethanone
CID 521947
2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone
CID 141089093
1-[2-(methylamino)acetyl]-2,5-dihydropyrrole-2-carbaldehyde
CID 20648600
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-diethoxyphosphoryl-1-pyrrol-1-ylethanone
CID 89488126
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one
CID 69377937
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-pyrrol-1-ylethanone?
The IUPAC name of 2-(methylamino)-1-pyrrol-1-ylethanone (CID 141121778) is 2-(methylamino)-1-pyrrol-1-ylethanone.
What is the SMILES notation for 2-(methylamino)-1-pyrrol-1-ylethanone?
The canonical SMILES for 2-(methylamino)-1-pyrrol-1-ylethanone is CNCC(=O)n1cccc1.
What is the InChIKey of 2-(methylamino)-1-pyrrol-1-ylethanone?
The InChIKey is BBQYYXDMGBJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-6-7(10)9-4-2-3-5-9/h2-5,8H,6H2,1H3.
What are the key properties of 2-(methylamino)-1-pyrrol-1-ylethanone?
2-(methylamino)-1-pyrrol-1-ylethanone has a molecular weight of 138.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-pyrrol-1-ylethanone is sourced from PubChem (CID 141121778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).