4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid

C8H9NO2 — CID 143604934

IUPAC4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESC=Cc1cc(C(=O)O)[nH]c1C
InChIInChI=1S/C8H9NO2/c1-3-6-4-7(8(10)11)9-5(6)2/h3-4,9H,1H2,2H3,(H,10,11)
InChIKeyQJWAPAOLMIPSCF-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.66
Rot. Bonds2

About 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid

4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 143604934) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID143604934
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESC=Cc1cc(C(=O)O)[nH]c1C
InChIInChI=1S/C8H9NO2/c1-3-6-4-7(8(10)11)9-5(6)2/h3-4,9H,1H2,2H3,(H,10,11)
InChIKeyQJWAPAOLMIPSCF-UHFFFAOYSA-N
XLogP1.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
CID 74892714
S-methyl 4-formyl-5-methyl-1H-pyrrole-2-carbothioate
CID 130005708
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 139061373
ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 143267178
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid
CID 166140081
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320
3-ethenyl-4-methylbenzenesulfonic acid;2-methylprop-2-enoic acid
CID 88637309
4,5-bis(ethenyl)furan-2-carboxylic acid;ethane
CID 143305164
3-ethenyl-5-methylpyridine-4-carboxylic acid
CID 74888995
4-bromo-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 170735675
4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
CID 139979105

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid (CID 143604934) is 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid is C=Cc1cc(C(=O)O)[nH]c1C.
What is the InChIKey of 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is QJWAPAOLMIPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-6-4-7(8(10)11)9-5(6)2/h3-4,9H,1H2,2H3,(H,10,11).
What are the key properties of 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid?
4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 143604934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).