4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

C9H14ClNO3 — CID 2967417

IUPAC4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H
InChIKeyOKSOVYSCXPRWPJ-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.81
Rot. Bonds4

About 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (PubChem CID 2967417) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
PubChem CID2967417
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H
InChIKeyOKSOVYSCXPRWPJ-UHFFFAOYSA-N
XLogP1.81
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (CID 2967417) is 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is CCCc1oc(C(=O)O)cc1CN.Cl.
What is the InChIKey of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The InChIKey is OKSOVYSCXPRWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H.
What are the key properties of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2967417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).