(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione

C15H9NO4 — CID 710315

IUPAC(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
SMILESO=C1O[C@]2(O)c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C15H9NO4/c17-13-9-5-1-3-7-11(9)15(19)16(13)12-8-4-2-6-10(12)14(18)20-15/h1-8,19H/t15-/m1/s1
InChIKeyWIBNFFCZZQJGET-OAHLLOKOSA-N
MW267.24 g/mol
LogP1.62
Rot. Bonds

About (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione

(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione (PubChem CID 710315) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione.

Molecular Properties

Compound Name(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
PubChem CID710315
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
SMILESO=C1O[C@]2(O)c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C15H9NO4/c17-13-9-5-1-3-7-11(9)15(19)16(13)12-8-4-2-6-10(12)14(18)20-15/h1-8,19H/t15-/m1/s1
InChIKeyWIBNFFCZZQJGET-OAHLLOKOSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6aR)-6a-hydroxy-3-methylisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
CID 6925503
6a-hydroxy-2,3-dimethoxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
CID 2733023
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
CID 134124391
6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
CID 57387965
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
CID 177386662
3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
CID 4247568
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102
1-methyl-6,13-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2,4,7,9,11,15,17,19-octaen-14-one
CID 56925856
(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione
CID 139190904

Frequently Asked Questions

What is the IUPAC name of (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The IUPAC name of (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione (CID 710315) is (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione.
What is the SMILES notation for (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The canonical SMILES for (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione is O=C1O[C@]2(O)c3ccccc3C(=O)N2c2ccccc21.
What is the InChIKey of (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
The InChIKey is WIBNFFCZZQJGET-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H9NO4/c17-13-9-5-1-3-7-11(9)15(19)16(13)12-8-4-2-6-10(12)14(18)20-15/h1-8,19H/t15-/m1/s1.
What are the key properties of (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione?
(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione has a molecular weight of 267.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione is sourced from PubChem (CID 710315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).