(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione

C13H11NO3 — CID 135010804

IUPAC(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
SMILESC=C1C(=O)OC[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C13H11NO3/c1-8-11(15)17-7-13(8)9-5-3-4-6-10(9)14(2)12(13)16/h3-6H,1,7H2,2H3/t13-/m1/s1
InChIKeyWSUDNMIRHKHNOX-CYBMUJFWSA-N
MW229.23 g/mol
LogP1.01
Rot. Bonds

About (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione

(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione (PubChem CID 135010804) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
PubChem CID135010804
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
SMILESC=C1C(=O)OC[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C13H11NO3/c1-8-11(15)17-7-13(8)9-5-3-4-6-10(9)14(2)12(13)16/h3-6H,1,7H2,2H3/t13-/m1/s1
InChIKeyWSUDNMIRHKHNOX-CYBMUJFWSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-Methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 3159608
1,2-Dihydrospiro[indole-3,3'-oxolan]-2-one
CID 58171286
ethyl (1S,2S,3S,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048745
ethyl (1S,2R,3R,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050948
tert-butyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 134153485
[1-Methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102499449
Methyl 1-methyl-2-oxoindoline-3-carboxylate
CID 11805845
3H-Indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester
CID 244860
[(3S)-1-methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102219059
Methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 132502466
methyl (2S,3S)-4-formyl-1'-methyl-2'-oxo-2-(trifluoromethyl)spiro[furan-3,3'-indole]-2-carboxylate
CID 134948779
(3S)-5-fluoro-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038910

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione?
The IUPAC name of (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione (CID 135010804) is (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione.
What is the SMILES notation for (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione?
The canonical SMILES for (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione is C=C1C(=O)OC[C@@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione?
The InChIKey is WSUDNMIRHKHNOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8-11(15)17-7-13(8)9-5-3-4-6-10(9)14(2)12(13)16/h3-6H,1,7H2,2H3/t13-/m1/s1.
What are the key properties of (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione?
(3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione has a molecular weight of 229.23 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione is sourced from PubChem (CID 135010804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).