3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride

C9H11ClN2O2 — CID 139604886

IUPAC3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1OCCN2
InChIInChI=1S/C9H10N2O2.ClH/c10-9(12)6-2-1-3-7-8(6)13-5-4-11-7;/h1-3,11H,4-5H2,(H2,10,12);1H
InChIKeyOJPXVSOTNLZHNB-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.01
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride

3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 139604886) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID139604886
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1OCCN2
InChIInChI=1S/C9H10N2O2.ClH/c10-9(12)6-2-1-3-7-8(6)13-5-4-11-7;/h1-3,11H,4-5H2,(H2,10,12);1H
InChIKeyOJPXVSOTNLZHNB-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 139604886) is 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2c1OCCN2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is OJPXVSOTNLZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c10-9(12)6-2-1-3-7-8(6)13-5-4-11-7;/h1-3,11H,4-5H2,(H2,10,12);1H.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride?
3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 139604886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).