1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone

C9H13NO — CID 84649537

IUPAC1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone
SMILESCCc1cc(C)c(C(C)=O)[nH]1
InChIInChI=1S/C9H13NO/c1-4-8-5-6(2)9(10-8)7(3)11/h5,10H,4H2,1-3H3
InChIKeyYGEJTYAGZUADGA-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.09
Rot. Bonds2

About 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone

1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone (PubChem CID 84649537) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone
PubChem CID84649537
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone
SMILESCCc1cc(C)c(C(C)=O)[nH]1
InChIInChI=1S/C9H13NO/c1-4-8-5-6(2)9(10-8)7(3)11/h5,10H,4H2,1-3H3
InChIKeyYGEJTYAGZUADGA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone (CID 84649537) is 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone is CCc1cc(C)c(C(C)=O)[nH]1.
What is the InChIKey of 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone?
The InChIKey is YGEJTYAGZUADGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-5-6(2)9(10-8)7(3)11/h5,10H,4H2,1-3H3.
What are the key properties of 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone?
1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 84649537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).