1-(1-methylpyrrol-3-yl)propan-1-one

C8H11NO — CID 20789486

IUPAC1-(1-methylpyrrol-3-yl)propan-1-one
SMILESCCC(=O)c1ccn(C)c1
InChIInChI=1S/C8H11NO/c1-3-8(10)7-4-5-9(2)6-7/h4-6H,3H2,1-2H3
InChIKeyKVYGKZPJKFXNLN-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds2

About 1-(1-methylpyrrol-3-yl)propan-1-one

1-(1-methylpyrrol-3-yl)propan-1-one (PubChem CID 20789486) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)propan-1-one
PubChem CID20789486
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(1-methylpyrrol-3-yl)propan-1-one
SMILESCCC(=O)c1ccn(C)c1
InChIInChI=1S/C8H11NO/c1-3-8(10)7-4-5-9(2)6-7/h4-6H,3H2,1-2H3
InChIKeyKVYGKZPJKFXNLN-UHFFFAOYSA-N
XLogP1.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methylpyrrol-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

3-Acetylpyridine
CID 9589
1-(4-Pyridinyl)-1-propanone
CID 74343
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
1-(Pyridin-3-yl)butan-1-one
CID 459502
3-Acetylpyrrole
CID 2737793
1-(4-methyl-1H-pyrrol-3-yl)ethanone
CID 698832
3-Acetyl-1-methylpyrrole
CID 523057
1-(4-Pyridinyl)-1-butanone
CID 15551
(2E)-3-(Dimethylamino)-1-(4-Pyridinyl)-2-Propen-1-One
CID 5396716
1-(4-Methyl-3-pyridinyl)ethanone
CID 10942481
Pyridinium, 3-acetyl-1-(phenylmethyl)-, chloride (1:1)
CID 199836
1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
CID 567033

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(1-methylpyrrol-3-yl)propan-1-one (CID 20789486) is 1-(1-methylpyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)propan-1-one is CCC(=O)c1ccn(C)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)propan-1-one?
The InChIKey is KVYGKZPJKFXNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-8(10)7-4-5-9(2)6-7/h4-6H,3H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)propan-1-one?
1-(1-methylpyrrol-3-yl)propan-1-one has a molecular weight of 137.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)propan-1-one is sourced from PubChem (CID 20789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).