(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione

C15H13NO3 — CID 135038820

IUPAC(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione
SMILESC=CCN1C(=O)[C@@]2(COC(=O)C2=C)c2ccccc21
InChIInChI=1S/C15H13NO3/c1-3-8-16-12-7-5-4-6-11(12)15(14(16)18)9-19-13(17)10(15)2/h3-7H,1-2,8-9H2/t15-/m1/s1
InChIKeyNMMUTAJUUOXMRB-OAHLLOKOSA-N
MW255.27 g/mol
LogP1.57
Rot. Bonds2

About (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione

(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione (PubChem CID 135038820) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione
PubChem CID135038820
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione
SMILESC=CCN1C(=O)[C@@]2(COC(=O)C2=C)c2ccccc21
InChIInChI=1S/C15H13NO3/c1-3-8-16-12-7-5-4-6-11(12)15(14(16)18)9-19-13(17)10(15)2/h3-7H,1-2,8-9H2/t15-/m1/s1
InChIKeyNMMUTAJUUOXMRB-OAHLLOKOSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
(3S)-5-fluoro-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038910
Ethyl 3-fluoro-1-methyl-2-oxoindoline-3-carboxylate
CID 135043371
(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
CID 154714580
ethyl (3R,3'R)-3'-cyano-5-fluoro-1,1'-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-3'-carboxylate
CID 168349600
methyl 2-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]acetate
CID 176438621

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione?
The IUPAC name of (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione (CID 135038820) is (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione.
What is the SMILES notation for (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione?
The canonical SMILES for (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione is C=CCN1C(=O)[C@@]2(COC(=O)C2=C)c2ccccc21.
What is the InChIKey of (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione?
The InChIKey is NMMUTAJUUOXMRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13NO3/c1-3-8-16-12-7-5-4-6-11(12)15(14(16)18)9-19-13(17)10(15)2/h3-7H,1-2,8-9H2/t15-/m1/s1.
What are the key properties of (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione?
(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione has a molecular weight of 255.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione is sourced from PubChem (CID 135038820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).