1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid

C11H15NO2 — CID 83531011

IUPAC1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(C)n1C1CC1
InChIInChI=1S/C11H15NO2/c1-3-8-6-10(11(13)14)7(2)12(8)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyZAIMYHOHGNFNGP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.39
Rot. Bonds3

About 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid

1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid (PubChem CID 83531011) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
PubChem CID83531011
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(C)n1C1CC1
InChIInChI=1S/C11H15NO2/c1-3-8-6-10(11(13)14)7(2)12(8)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyZAIMYHOHGNFNGP-UHFFFAOYSA-N
XLogP2.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092874
1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
CID 83533011
1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092878
ethyl 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoacetate
CID 2321557
2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid
CID 43180347
1-cyclopropyl-2-ethylindole-5-carboxamide
CID 145369091
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-methylbutan-1-one
CID 82493930
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16785578
ethyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809062
1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
CID 83847442
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 110654615
4-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butan-1-one
CID 105400949

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid (CID 83531011) is 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid is CCc1cc(C(=O)O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid?
The InChIKey is ZAIMYHOHGNFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-6-10(11(13)14)7(2)12(8)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid?
1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 83531011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).