6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride

C12H14ClNO2 — CID 3063431

IUPAC6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride
SMILESCc1oc2ccc(CN)cc2c(=O)c1C.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-7-8(2)15-11-4-3-9(6-13)5-10(11)12(7)14;/h3-5H,6,13H2,1-2H3;1H
InChIKeyGUOCGPUFPBSRDI-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.29
Rot. Bonds1

About 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride

6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride (PubChem CID 3063431) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride
PubChem CID3063431
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride
SMILESCc1oc2ccc(CN)cc2c(=O)c1C.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-7-8(2)15-11-4-3-9(6-13)5-10(11)12(7)14;/h3-5H,6,13H2,1-2H3;1H
InChIKeyGUOCGPUFPBSRDI-UHFFFAOYSA-N
XLogP2.29
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride (CID 3063431) is 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride is Cc1oc2ccc(CN)cc2c(=O)c1C.Cl.
What is the InChIKey of 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride?
The InChIKey is GUOCGPUFPBSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c1-7-8(2)15-11-4-3-9(6-13)5-10(11)12(7)14;/h3-5H,6,13H2,1-2H3;1H.
What are the key properties of 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride?
6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2,3-dimethylchromen-4-one;hydrochloride is sourced from PubChem (CID 3063431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).