2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid

C10H15NO2 — CID 84658016

IUPAC2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid
SMILESCCc1cc(C)c(CC(=O)O)n1C
InChIInChI=1S/C10H15NO2/c1-4-8-5-7(2)9(11(8)3)6-10(12)13/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyLWNDXBBHKKTEBP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid

2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid (PubChem CID 84658016) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid
PubChem CID84658016
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid
SMILESCCc1cc(C)c(CC(=O)O)n1C
InChIInChI=1S/C10H15NO2/c1-4-8-5-7(2)9(11(8)3)6-10(12)13/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyLWNDXBBHKKTEBP-UHFFFAOYSA-N
XLogP1.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid (CID 84658016) is 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid is CCc1cc(C)c(CC(=O)O)n1C.
What is the InChIKey of 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid?
The InChIKey is LWNDXBBHKKTEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-5-7(2)9(11(8)3)6-10(12)13/h5H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid?
2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid has a molecular weight of 181.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 84658016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).