(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione

C16H22N2O3Si — CID 102430781

IUPAC(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
SMILESCN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C)OC(=O)N2)c2ccccc21
InChIInChI=1S/C16H22N2O3Si/c1-18-13-8-6-5-7-12(13)16(14(18)19)9-11(10-22(2,3)4)21-15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t11-,16+/m0/s1
InChIKeyYFMAKHUZZRLKAF-MEDUHNTESA-N
MW318.45 g/mol
LogP2.69
Rot. Bonds2

About (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione

(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione (PubChem CID 102430781) has the molecular formula C16H22N2O3Si and a molecular weight of 318.45 g/mol. Its IUPAC name is (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
PubChem CID102430781
Molecular FormulaC16H22N2O3Si
Molecular Weight318.45 g/mol
Exact Mass318.14
IUPAC Name(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
SMILESCN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C)OC(=O)N2)c2ccccc21
InChIInChI=1S/C16H22N2O3Si/c1-18-13-8-6-5-7-12(13)16(14(18)19)9-11(10-22(2,3)4)21-15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t11-,16+/m0/s1
InChIKeyYFMAKHUZZRLKAF-MEDUHNTESA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
CID 154716097
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(4R,5S)-1'-methyl-5-propan-2-yl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102443852
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
(4S,5S)-1'-methyl-5-(4-methylphenyl)-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102097042
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
CID 164582213
CID 164582213
1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one
CID 138970889

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The IUPAC name of (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione (CID 102430781) is (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione.
What is the SMILES notation for (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The canonical SMILES for (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione is CN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C)OC(=O)N2)c2ccccc21.
What is the InChIKey of (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The InChIKey is YFMAKHUZZRLKAF-MEDUHNTESA-N. The full InChI is InChI=1S/C16H22N2O3Si/c1-18-13-8-6-5-7-12(13)16(14(18)19)9-11(10-22(2,3)4)21-15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t11-,16+/m0/s1.
What are the key properties of (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
(4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione has a molecular weight of 318.45 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-1'-methyl-6-(trimethylsilylmethyl)spiro[1,3-oxazinane-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 102430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).