(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

C17H12N2O4 — CID 26183224

IUPAC(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H12N2O4/c1-10(20)19-13-8-4-3-7-12(13)17(16(19)22)18-15(21)11-6-2-5-9-14(11)23-17/h2-9H,1H3,(H,18,21)/t17-/m1/s1
InChIKeyKIUAAUFXGIOUQR-QGZVFWFLSA-N
MW308.29 g/mol
LogP1.55
Rot. Bonds

About (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (PubChem CID 26183224) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
PubChem CID26183224
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H12N2O4/c1-10(20)19-13-8-4-3-7-12(13)17(16(19)22)18-15(21)11-6-2-5-9-14(11)23-17/h2-9H,1H3,(H,18,21)/t17-/m1/s1
InChIKeyKIUAAUFXGIOUQR-QGZVFWFLSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 17121937
(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 41452929
1-acetyl-3,3-diethylindol-2-one
CID 59379162
(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
CID 10981857
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
CID 10737820
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
CID 58811757
CID 57409056
CID 57409056
2-(carboxymethyl)-4-oxo-3H-1,3-benzoxazine-2-carboxylic acid
CID 134107078
(2R)-1'-acetylspiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 92549161
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (CID 26183224) is (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is CC(=O)N1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21.
What is the InChIKey of (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The InChIKey is KIUAAUFXGIOUQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-10(20)19-13-8-4-3-7-12(13)17(16(19)22)18-15(21)11-6-2-5-9-14(11)23-17/h2-9H,1H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione has a molecular weight of 308.29 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 26183224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).