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

C17H14N2O3 — CID 17121937

IUPAC1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-2-19-13-9-5-4-8-12(13)17(16(19)21)18-15(20)11-7-3-6-10-14(11)22-17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyHCMUGNJYRDQZEK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.03
Rot. Bonds1

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

1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (PubChem CID 17121937) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
PubChem CID17121937
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-2-19-13-9-5-4-8-12(13)17(16(19)21)18-15(20)11-7-3-6-10-14(11)22-17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyHCMUGNJYRDQZEK-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (CID 17121937) is 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is CCN1C(=O)C2(NC(=O)c3ccccc3O2)c2ccccc21.
What is the InChIKey of 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The InChIKey is HCMUGNJYRDQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-19-13-9-5-4-8-12(13)17(16(19)21)18-15(20)11-7-3-6-10-14(11)22-17/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione has a molecular weight of 294.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 17121937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).