1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

C10H15NO — CID 15162

IUPAC1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
SMILESCCc1c(C)[nH]c(C(C)=O)c1C
InChIInChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
InChIKeySUAXMKRXTCGJJD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.40
Rot. Bonds2

About 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone (PubChem CID 15162) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
PubChem CID15162
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
SMILESCCc1c(C)[nH]c(C(C)=O)c1C
InChIInChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
InChIKeySUAXMKRXTCGJJD-UHFFFAOYSA-N
XLogP2.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone 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-Acetyl-2,4,5-trimethylpyrrole
CID 29375
Pyrrole, 2,4-diacetyl-3,5-dimethyl-
CID 200285
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 653478
Ethanone, 1-(5-methyl-1H-pyrrol-2-yl)-
CID 13220327
3,4-Dimethyl-2,5-pyrroledicarboxaldehyde
CID 3599076
2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde
CID 4328171
4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
CID 138703
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CID 270465
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
2,5-Dimethyl-3,4-diacetylpyrrole
CID 750354
3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
CID 80204
4,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CID 578970

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone (CID 15162) is 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone is CCc1c(C)[nH]c(C(C)=O)c1C.
What is the InChIKey of 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
The InChIKey is SUAXMKRXTCGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3.
What are the key properties of 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone?
1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 15162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).