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

C13H16N2O2 — CID 162959161

IUPAC(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
SMILESC[C@@H]1O[C@]2(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)/t9-,13-/m0/s1
InChIKeyYHAQQFNSEZLLPM-ZANVPECISA-N
MW232.28 g/mol
LogP1.53
Rot. Bonds

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

(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one (PubChem CID 162959161) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
PubChem CID162959161
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
SMILESC[C@@H]1O[C@]2(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)/t9-,13-/m0/s1
InChIKeyYHAQQFNSEZLLPM-ZANVPECISA-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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Related Compounds

(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
CID 146949857
CID 146949857
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The IUPAC name of (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one (CID 162959161) is (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one.
What is the SMILES notation for (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The canonical SMILES for (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one is C[C@@H]1O[C@]2(CCN1C)C(=O)Nc1ccccc12.
What is the InChIKey of (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
The InChIKey is YHAQQFNSEZLLPM-ZANVPECISA-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)/t9-,13-/m0/s1.
What are the key properties of (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one?
(2S,6S)-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 (2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one is sourced from PubChem (CID 162959161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).