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

C9H13NO — CID 67574339

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C9H13NO/c1-4-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKeyURPXDRYBHFBJKA-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.22
Rot. Bonds2

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

1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one (PubChem CID 67574339) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
PubChem CID67574339
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C9H13NO/c1-4-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKeyURPXDRYBHFBJKA-UHFFFAOYSA-N
XLogP2.22
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-3-methylbutan-1-one
CID 82490657
2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 102995140
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 60713368
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43794443
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 62734991
1-(2,5-dimethyl-1H-pyrrol-3-yl)prop-2-en-1-one
CID 83635361
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60712935
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724
1-(2,5-dimethyl-1H-pyrrol-3-yl)-4-piperazin-1-ylbutane-1,4-dione
CID 82501364
2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 62775217
2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 64584824

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one (CID 67574339) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one is CCC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one?
The InChIKey is URPXDRYBHFBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one?
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one has a molecular weight of 151.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 67574339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).