2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one

C9H13NO — CID 157310035

IUPAC2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one
SMILESCC1=NCC(C(=O)C(C)C)=C1
InChIInChI=1S/C9H13NO/c1-6(2)9(11)8-4-7(3)10-5-8/h4,6H,5H2,1-3H3
InChIKeyYLLIJAJHNNBNHY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one

2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one (PubChem CID 157310035) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one
PubChem CID157310035
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one
SMILESCC1=NCC(C(=O)C(C)C)=C1
InChIInChI=1S/C9H13NO/c1-6(2)9(11)8-4-7(3)10-5-8/h4,6H,5H2,1-3H3
InChIKeyYLLIJAJHNNBNHY-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methyl-2H-pyrrol-3-yl)propan-1-one
CID 57789310
1-(5-tert-butyl-2-methyl-2H-pyrrol-3-yl)ethanone
CID 59139747
1-(5,5-Dimethylpyrrol-3-yl)-2-methylpropan-1-one
CID 70256373
1-(2H-indol-3-yl)-2-methylpropan-1-one
CID 125301746
1-(5-methyl-2H-pyrrol-3-yl)ethanone
CID 125421320
1-(5-tert-butyl-2H-pyrrol-3-yl)ethanone
CID 157362144
1-(2H-indol-5-yl)-2-methylpropan-1-one
CID 169821078
5,6-dimethyl-3-methylidene-7-prop-1-en-2-yl-2H-azepin-4-one
CID 170078079
6-Methyl-2,3-dihydroindol-5-one
CID 130030815
2-methyl-1-(1-methyl-2H-pyrrol-1-ium-3-yl)propan-1-one
CID 157100340
2-methyl-1-(2H-pyrrol-3-yl)propan-1-one
CID 157315173
2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one
CID 158792993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one (CID 157310035) is 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one is CC1=NCC(C(=O)C(C)C)=C1.
What is the InChIKey of 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one?
The InChIKey is YLLIJAJHNNBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)9(11)8-4-7(3)10-5-8/h4,6H,5H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one?
2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 157310035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).