2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one

C13H16N2O2 — CID 10955426

IUPAC2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
SMILESCC1OC2(CCN1C)C(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyYHAQQFNSEZLLPM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.53
Rot. Bonds

About 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one

2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one (PubChem CID 10955426) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
PubChem CID10955426
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
SMILESCC1OC2(CCN1C)C(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyYHAQQFNSEZLLPM-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The IUPAC name of 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one (CID 10955426) is 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one.
What is the SMILES notation for 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The canonical SMILES for 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one is CC1OC2(CCN1C)C(=O)Nc1ccccc12.
What is the InChIKey of 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The InChIKey is YHAQQFNSEZLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one has a molecular weight of 232.28 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one is sourced from PubChem (CID 10955426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).