1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

C16H12N2O3 — CID 3273641

IUPAC1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C16H12N2O3/c1-18-12-8-4-3-7-11(12)16(15(18)20)17-14(19)10-6-2-5-9-13(10)21-16/h2-9H,1H3,(H,17,19)
InChIKeyOZPNYAHEDUKMPF-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.64
Rot. Bonds

About 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (PubChem CID 3273641) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
PubChem CID3273641
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C16H12N2O3/c1-18-12-8-4-3-7-11(12)16(15(18)20)17-14(19)10-6-2-5-9-13(10)21-16/h2-9H,1H3,(H,17,19)
InChIKeyOZPNYAHEDUKMPF-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (CID 3273641) is 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is CN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The InChIKey is OZPNYAHEDUKMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18-12-8-4-3-7-11(12)16(15(18)20)17-14(19)10-6-2-5-9-13(10)21-16/h2-9H,1H3,(H,17,19).
What are the key properties of 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione has a molecular weight of 280.28 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 3273641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).