5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride

C7H10ClNO3 — CID 91654549

IUPAC5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride
SMILESCc1oc(CN)cc1C(=O)O.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-4-6(7(9)10)2-5(3-8)11-4;/h2H,3,8H2,1H3,(H,9,10);1H
InChIKeyQYYLGEAAPQHFNE-UHFFFAOYSA-N
MW191.61 g/mol
LogP1.17
Rot. Bonds2

About 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride

5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride (PubChem CID 91654549) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride
PubChem CID91654549
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride
SMILESCc1oc(CN)cc1C(=O)O.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-4-6(7(9)10)2-5(3-8)11-4;/h2H,3,8H2,1H3,(H,9,10);1H
InChIKeyQYYLGEAAPQHFNE-UHFFFAOYSA-N
XLogP1.17
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride (CID 91654549) is 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride is Cc1oc(CN)cc1C(=O)O.Cl.
What is the InChIKey of 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride?
The InChIKey is QYYLGEAAPQHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.ClH/c1-4-6(7(9)10)2-5(3-8)11-4;/h2H,3,8H2,1H3,(H,9,10);1H.
What are the key properties of 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride?
5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride has a molecular weight of 191.61 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 91654549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).