5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid

C11H15NO3 — CID 1072911

IUPAC5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(CN2CCCC2)o1
InChIInChI=1S/C11H15NO3/c1-8-6-9(11(13)14)10(15-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRCGSIYSOJGSQNE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.88
Rot. Bonds3

About 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid

5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 1072911) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
PubChem CID1072911
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(CN2CCCC2)o1
InChIInChI=1S/C11H15NO3/c1-8-6-9(11(13)14)10(15-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRCGSIYSOJGSQNE-UHFFFAOYSA-N
XLogP1.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid (CID 1072911) is 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid is Cc1cc(C(=O)O)c(CN2CCCC2)o1.
What is the InChIKey of 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is RCGSIYSOJGSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-6-9(11(13)14)10(15-8)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid?
5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 1072911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).