1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid

C10H13NO4 — CID 84678244

IUPAC1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid
SMILESCOc1cn(C2CC2)c(C(=O)O)c1OC
InChIInChI=1S/C10H13NO4/c1-14-7-5-11(6-3-4-6)8(10(12)13)9(7)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZFOHTKGVALIKPU-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid

1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid (PubChem CID 84678244) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid
PubChem CID84678244
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid
SMILESCOc1cn(C2CC2)c(C(=O)O)c1OC
InChIInChI=1S/C10H13NO4/c1-14-7-5-11(6-3-4-6)8(10(12)13)9(7)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZFOHTKGVALIKPU-UHFFFAOYSA-N
XLogP1.54
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid (CID 84678244) is 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid is COc1cn(C2CC2)c(C(=O)O)c1OC.
What is the InChIKey of 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid?
The InChIKey is ZFOHTKGVALIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-7-5-11(6-3-4-6)8(10(12)13)9(7)15-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid?
1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid is sourced from PubChem (CID 84678244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).