(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one

C17H12FNO3 — CID 154714580

IUPAC(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESO=C1C[C@@]2(F)c3ccccc3N(C(=O)c3ccccc3)[C@H]2O1
InChIInChI=1S/C17H12FNO3/c18-17-10-14(20)22-16(17)19(13-9-5-4-8-12(13)17)15(21)11-6-2-1-3-7-11/h1-9,16H,10H2/t16-,17+/m0/s1
InChIKeyFJLDAKOVWJIPEM-DLBZAZTESA-N
MW297.29 g/mol
LogP2.78
Rot. Bonds1

About (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one

(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one (PubChem CID 154714580) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one.

Molecular Properties

Compound Name(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
PubChem CID154714580
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESO=C1C[C@@]2(F)c3ccccc3N(C(=O)c3ccccc3)[C@H]2O1
InChIInChI=1S/C17H12FNO3/c18-17-10-14(20)22-16(17)19(13-9-5-4-8-12(13)17)15(21)11-6-2-1-3-7-11/h1-9,16H,10H2/t16-,17+/m0/s1
InChIKeyFJLDAKOVWJIPEM-DLBZAZTESA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one with MolForge

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Related Compounds

[2-(2-methylphenyl)-3-oxo-1H-isoindol-1-yl] acetate
CID 5307942
(3S)-5-fluoro-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038910
methyl 2-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]acetate
CID 176438621
(1-Benzyl-3-fluoro-2-oxoindol-3-yl)methyl acetate
CID 156041398
methyl 2-(1-benzyl-2-oxo-3H-indol-3-yl)acetate
CID 12301662
Methyl 3-benzoyl-1,2,2a,7b-tetrahydrocyclobuta[b]indole-1-carboxylate
CID 12637453
(3aS,8bS)-4,8b-bis(prop-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
CID 134948176
methyl (10bS)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 134953120
(3S)-1-benzyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135011112
methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 135032723
(3S)-3'-methylidene-1-prop-2-enylspiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038820
Tert-butyl 14-benzyl-11-oxo-10-oxa-8,14-diazatetracyclo[7.7.0.01,12.02,7]hexadeca-2,4,6,12-tetraene-8-carboxylate
CID 177856083

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one?
The IUPAC name of (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one (CID 154714580) is (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one.
What is the SMILES notation for (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one?
The canonical SMILES for (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one is O=C1C[C@@]2(F)c3ccccc3N(C(=O)c3ccccc3)[C@H]2O1.
What is the InChIKey of (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one?
The InChIKey is FJLDAKOVWJIPEM-DLBZAZTESA-N. The full InChI is InChI=1S/C17H12FNO3/c18-17-10-14(20)22-16(17)19(13-9-5-4-8-12(13)17)15(21)11-6-2-1-3-7-11/h1-9,16H,10H2/t16-,17+/m0/s1.
What are the key properties of (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one?
(3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one has a molecular weight of 297.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-4-benzoyl-8b-fluoro-1,3a-dihydrofuro[2,3-b]indol-2-one is sourced from PubChem (CID 154714580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).