2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride

C13H15ClN2O4 — CID 126484816

IUPAC2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(C(=O)NCCO)ccc2o1
InChIInChI=1S/C13H14N2O4.ClH/c14-7-9-6-11(17)10-5-8(1-2-12(10)19-9)13(18)15-3-4-16;/h1-2,5-6,16H,3-4,7,14H2,(H,15,18);1H
InChIKeyANJIHCZFWOCDTF-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.40
Rot. Bonds4

About 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride

2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride (PubChem CID 126484816) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride
PubChem CID126484816
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(C(=O)NCCO)ccc2o1
InChIInChI=1S/C13H14N2O4.ClH/c14-7-9-6-11(17)10-5-8(1-2-12(10)19-9)13(18)15-3-4-16;/h1-2,5-6,16H,3-4,7,14H2,(H,15,18);1H
InChIKeyANJIHCZFWOCDTF-UHFFFAOYSA-N
XLogP0.40
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride (CID 126484816) is 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride is Cl.NCc1cc(=O)c2cc(C(=O)NCCO)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride?
The InChIKey is ANJIHCZFWOCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4.ClH/c14-7-9-6-11(17)10-5-8(1-2-12(10)19-9)13(18)15-3-4-16;/h1-2,5-6,16H,3-4,7,14H2,(H,15,18);1H.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride?
2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride has a molecular weight of 298.73 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxyethyl)-4-oxochromene-6-carboxamide;hydrochloride is sourced from PubChem (CID 126484816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).