1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid

C12H19NO2 — CID 100793036

IUPAC1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid
SMILESCCCc1ccc(C(=O)O)n1CC(C)C
InChIInChI=1S/C12H19NO2/c1-4-5-10-6-7-11(12(14)15)13(10)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyMTHWONSEUQHVJX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid

1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid (PubChem CID 100793036) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid
PubChem CID100793036
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid
SMILESCCCc1ccc(C(=O)O)n1CC(C)C
InChIInChI=1S/C12H19NO2/c1-4-5-10-6-7-11(12(14)15)13(10)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyMTHWONSEUQHVJX-UHFFFAOYSA-N
XLogP2.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-butyl-1-(2-methylpropyl)pyrrole-2-carboxylate
CID 100793133
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
1-[(2R)-butan-2-yl]-5-butylpyrrole-2-carboxylic acid
CID 100793148
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
3-[5-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrol-2-yl]propanoic acid
CID 954351
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
6-chloro-3-(2-methylpropyl)-2-oxopyrimidine-4-carboxylic acid
CID 83852569
1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide
CID 100793090
5-benzyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 133197557
5-(2-phenylethyl)-1-prop-2-enylpyrrole-2-carboxylic acid
CID 100793430
2-[4-[[3-(2-methylpropyl)-2-oxo-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19740518

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid (CID 100793036) is 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid is CCCc1ccc(C(=O)O)n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid?
The InChIKey is MTHWONSEUQHVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-10-6-7-11(12(14)15)13(10)8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid?
1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 100793036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).