1H-3,1-benzoxazine-2,4-dione;hydrochloride

C8H6ClNO3 — CID 142025242

IUPAC1H-3,1-benzoxazine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c(=O)o1
InChIInChI=1S/C8H5NO3.ClH/c10-7-5-3-1-2-4-6(5)9-8(11)12-7;/h1-4H,(H,9,11);1H
InChIKeyREQOOLBIFMLTNS-UHFFFAOYSA-N
MW199.59 g/mol
LogP0.90
Rot. Bonds

About 1H-3,1-benzoxazine-2,4-dione;hydrochloride

1H-3,1-benzoxazine-2,4-dione;hydrochloride (PubChem CID 142025242) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 1H-3,1-benzoxazine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1H-3,1-benzoxazine-2,4-dione;hydrochloride
PubChem CID142025242
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name1H-3,1-benzoxazine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c(=O)o1
InChIInChI=1S/C8H5NO3.ClH/c10-7-5-3-1-2-4-6(5)9-8(11)12-7;/h1-4H,(H,9,11);1H
InChIKeyREQOOLBIFMLTNS-UHFFFAOYSA-N
XLogP0.90
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-3,1-benzoxazine-2,4-dione;8-methyl-2H-1,3-benzoxazine
CID 157494387
6-methylsulfinyl-1H-3,1-benzoxazine-2,4-dione
CID 170859876
6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione
CID 12715795
10H-acridin-9-one
CID 22753806
12-oxa-3,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10064156
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
3H-1,3-benzoxazol-2-one;ethane;methane
CID 142031035
9H-carbazole
CID 66668984
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;1H-3,1-benzoxazine-2,4-dione
CID 160877041
arsoric acid;3H-1,3-benzoxazol-2-one
CID 160734484

Frequently Asked Questions

What is the IUPAC name of 1H-3,1-benzoxazine-2,4-dione;hydrochloride?
The IUPAC name of 1H-3,1-benzoxazine-2,4-dione;hydrochloride (CID 142025242) is 1H-3,1-benzoxazine-2,4-dione;hydrochloride.
What is the SMILES notation for 1H-3,1-benzoxazine-2,4-dione;hydrochloride?
The canonical SMILES for 1H-3,1-benzoxazine-2,4-dione;hydrochloride is Cl.O=c1[nH]c2ccccc2c(=O)o1.
What is the InChIKey of 1H-3,1-benzoxazine-2,4-dione;hydrochloride?
The InChIKey is REQOOLBIFMLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3.ClH/c10-7-5-3-1-2-4-6(5)9-8(11)12-7;/h1-4H,(H,9,11);1H.
What are the key properties of 1H-3,1-benzoxazine-2,4-dione;hydrochloride?
1H-3,1-benzoxazine-2,4-dione;hydrochloride has a molecular weight of 199.59 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-3,1-benzoxazine-2,4-dione;hydrochloride is sourced from PubChem (CID 142025242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).