2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid

C10H13NO3 — CID 84755952

IUPAC2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)c1C1CC1
InChIInChI=1S/C10H13NO3/c1-14-6-11-5-4-8(10(12)13)9(11)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyKKFKSDUKGMWZKG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.67
Rot. Bonds4

About 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid

2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid (PubChem CID 84755952) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid
PubChem CID84755952
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)c1C1CC1
InChIInChI=1S/C10H13NO3/c1-14-6-11-5-4-8(10(12)13)9(11)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyKKFKSDUKGMWZKG-UHFFFAOYSA-N
XLogP1.67
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid (CID 84755952) is 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid is COCn1ccc(C(=O)O)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid?
The InChIKey is KKFKSDUKGMWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-6-11-5-4-8(10(12)13)9(11)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid?
2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84755952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).