5-(diethylaminomethyl)furan-2-carboxylic acid

C10H15NO3 — CID 806439

IUPAC5-(diethylaminomethyl)furan-2-carboxylic acid
SMILESCCN(CC)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-3-11(4-2)7-8-5-6-9(14-8)10(12)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyALYTXWLGZOQUNG-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.82
Rot. Bonds5

About 5-(diethylaminomethyl)furan-2-carboxylic acid

5-(diethylaminomethyl)furan-2-carboxylic acid (PubChem CID 806439) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-(diethylaminomethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(diethylaminomethyl)furan-2-carboxylic acid
PubChem CID806439
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-(diethylaminomethyl)furan-2-carboxylic acid
SMILESCCN(CC)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-3-11(4-2)7-8-5-6-9(14-8)10(12)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyALYTXWLGZOQUNG-UHFFFAOYSA-N
XLogP1.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(diethylaminomethyl)furan-2-carboxylic acid (CID 806439) is 5-(diethylaminomethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(diethylaminomethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(diethylaminomethyl)furan-2-carboxylic acid is CCN(CC)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(diethylaminomethyl)furan-2-carboxylic acid?
The InChIKey is ALYTXWLGZOQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-11(4-2)7-8-5-6-9(14-8)10(12)13/h5-6H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 5-(diethylaminomethyl)furan-2-carboxylic acid?
5-(diethylaminomethyl)furan-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)furan-2-carboxylic acid is sourced from PubChem (CID 806439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).