2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride

C11H13ClN2O2 — CID 67785867

IUPAC2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride
SMILESCc1nc(CCN)oc2cc(=O)ccc1-2.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-7-9-3-2-8(14)6-10(9)15-11(13-7)4-5-12;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyDRSNVDKMPXXSBU-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.37
Rot. Bonds2

About 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride

2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride (PubChem CID 67785867) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride
PubChem CID67785867
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride
SMILESCc1nc(CCN)oc2cc(=O)ccc1-2.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-7-9-3-2-8(14)6-10(9)15-11(13-7)4-5-12;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyDRSNVDKMPXXSBU-UHFFFAOYSA-N
XLogP1.37
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride (CID 67785867) is 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride is Cc1nc(CCN)oc2cc(=O)ccc1-2.Cl.
What is the InChIKey of 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride?
The InChIKey is DRSNVDKMPXXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-7-9-3-2-8(14)6-10(9)15-11(13-7)4-5-12;/h2-3,6H,4-5,12H2,1H3;1H.
What are the key properties of 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride?
2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride is sourced from PubChem (CID 67785867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).