3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione

C12H9NO3 — CID 102113660

IUPAC3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)Nc1ccccc12
InChIInChI=1S/C12H9NO3/c1-7-6-12(16-10(7)14)8-4-2-3-5-9(8)13-11(12)15/h2-5H,1,6H2,(H,13,15)
InChIKeyVOQFEZBFAQEJMR-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.34
Rot. Bonds

About 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione

3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione (PubChem CID 102113660) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione
PubChem CID102113660
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)Nc1ccccc12
InChIInChI=1S/C12H9NO3/c1-7-6-12(16-10(7)14)8-4-2-3-5-9(8)13-11(12)15/h2-5H,1,6H2,(H,13,15)
InChIKeyVOQFEZBFAQEJMR-UHFFFAOYSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 281156
3'-Methylidene-1-[12-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)dodecyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 135172881
1',1'''-(Heptane-1,7-diyl)bis(4-methylene-3,4-dihydro-5H-spiro[furan-2,3'-indoline]-2',5-dione)
CID 135172889
3'-Methylidene-1-[6-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hexyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 135172897
3'-Methylidene-1-[2-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)ethyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 135172898
3'-Methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 135172899
3'-Methylidene-1-[11-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)undecyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201180
3'-Methylidene-1-[4-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)butyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201182
3'-Methylidene-1-[10-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)decyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201184
3'-Methylidene-1-[9-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)nonyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201205
3'-Methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201217
[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
CID 6439879

Frequently Asked Questions

What is the IUPAC name of 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione (CID 102113660) is 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)Nc1ccccc12.
What is the InChIKey of 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is VOQFEZBFAQEJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-7-6-12(16-10(7)14)8-4-2-3-5-9(8)13-11(12)15/h2-5H,1,6H2,(H,13,15).
What are the key properties of 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione?
3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 215.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidenespiro[1H-indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 102113660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).