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

C10H15NO — CID 653478

IUPAC1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCc1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)7(3)11-9/h11H,5H2,1-4H3
InChIKeyUSXUHJDVFUTRSC-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.40
Rot. Bonds2

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

1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 653478) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID653478
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCc1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)7(3)11-9/h11H,5H2,1-4H3
InChIKeyUSXUHJDVFUTRSC-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone (CID 653478) is 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone is CCc1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is USXUHJDVFUTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)7(3)11-9/h11H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-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-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 653478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).