4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid

C11H15NO2 — CID 143917610

IUPAC4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid
SMILESC=C(C)c1[nH]c(C)c(C(=O)O)c1CC
InChIInChI=1S/C11H15NO2/c1-5-8-9(11(13)14)7(4)12-10(8)6(2)3/h12H,2,5H2,1,3-4H3,(H,13,14)
InChIKeyGXWPWLLJEDKIDK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.62
Rot. Bonds3

About 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid

4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid (PubChem CID 143917610) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid
PubChem CID143917610
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid
SMILESC=C(C)c1[nH]c(C)c(C(=O)O)c1CC
InChIInChI=1S/C11H15NO2/c1-5-8-9(11(13)14)7(4)12-10(8)6(2)3/h12H,2,5H2,1,3-4H3,(H,13,14)
InChIKeyGXWPWLLJEDKIDK-UHFFFAOYSA-N
XLogP2.62
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-3-carboxylic acid
CID 91186163
4-carbamoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 71756338
3-ethyl-5-formyl-1H-pyrrole-2,4-dicarboxylic acid
CID 91126021
4-chloro-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 67211432
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
3-ethyl-5-methyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
CID 141106715
(2S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366078
1-[5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119485122
3,5-diethyl-2,4,6-trimethylbenzoic acid
CID 58163461
N-[2-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 132969433
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119203195

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid (CID 143917610) is 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid is C=C(C)c1[nH]c(C)c(C(=O)O)c1CC.
What is the InChIKey of 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid?
The InChIKey is GXWPWLLJEDKIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-8-9(11(13)14)7(4)12-10(8)6(2)3/h12H,2,5H2,1,3-4H3,(H,13,14).
What are the key properties of 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid?
4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-prop-1-en-2-yl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 143917610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).