4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one

C20H23F2NO3 — CID 121361852

IUPAC4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one
SMILESC=CC[C@@]12CCC[C@]1(O[C@@H](C)c1cccc3c1C(F)(F)C(=O)N3)OCC2
InChIInChI=1S/C20H23F2NO3/c1-3-8-18-9-5-10-19(18,25-12-11-18)26-13(2)14-6-4-7-15-16(14)20(21,22)17(24)23-15/h3-4,6-7,13H,1,5,8-12H2,2H3,(H,23,24)/t13-,18-,19+/m0/s1
InChIKeySQQXGYQTVWXOPG-FASAQXTFSA-N
MW363.40 g/mol
LogP4.67
Rot. Bonds5

About 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one

4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one (PubChem CID 121361852) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one.

Molecular Properties

Compound Name4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one
PubChem CID121361852
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one
SMILESC=CC[C@@]12CCC[C@]1(O[C@@H](C)c1cccc3c1C(F)(F)C(=O)N3)OCC2
InChIInChI=1S/C20H23F2NO3/c1-3-8-18-9-5-10-19(18,25-12-11-18)26-13(2)14-6-4-7-15-16(14)20(21,22)17(24)23-15/h3-4,6-7,13H,1,5,8-12H2,2H3,(H,23,24)/t13-,18-,19+/m0/s1
InChIKeySQQXGYQTVWXOPG-FASAQXTFSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-(3,3-Difluoro-2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl benzoate
CID 117837008
3,3,5-trifluoro-4-(1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl)-1,3-dihydro-2H-indol-2-one
CID 117837101
3,3,5-trifluoro-4-(2,2,2-trifluoro-1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl)-1,3-dihydro-2H-indol-2-one
CID 121361830
3,3-difluoro-4-[(1R)-2,2,2-trifluoro-1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl]-1,3-dihydro-2H-indol-2-one
CID 121361832
3,3-difluoro-4-[(1R)-1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl]-1,3-dihydro-2H-indol-2-one
CID 121361878
3,3-difluoro-4-[(1S)-2,2,2-trifluoro-1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl]-1,3-dihydro-2H-indol-2-one
CID 121361943
4-(2,2-difluoro-1-{[(3aR,6aR)-3a-(prop-2-en-1-yl)hexahydro-6aH-cyclopenta[b]furan-6a-yl]oxy}ethyl)-3,3-difluoro-1,3-dihydro-2H-indol-2-one
CID 121361951
1-(3,3-difluoro-2-oxo-1H-indol-4-yl)ethyl benzoate
CID 121362021
4-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxymethyl]-3,3-difluoro-1H-indol-2-one
CID 121362103
4-[1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]-2,2,2-trifluoroethyl]-1-fluoro-3H-indol-2-one
CID 150731332
(1S,15R)-6,6-difluoro-3-methyl-15-prop-2-enyl-2,19-dioxa-8-azapentacyclo[11.5.1.01,15.04,12.05,9]nonadeca-4(12),5(9),10-trien-7-one
CID 154473397
4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 175733673

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one?
The IUPAC name of 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one (CID 121361852) is 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one.
What is the SMILES notation for 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one?
The canonical SMILES for 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one is C=CC[C@@]12CCC[C@]1(O[C@@H](C)c1cccc3c1C(F)(F)C(=O)N3)OCC2.
What is the InChIKey of 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one?
The InChIKey is SQQXGYQTVWXOPG-FASAQXTFSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-3-8-18-9-5-10-19(18,25-12-11-18)26-13(2)14-6-4-7-15-16(14)20(21,22)17(24)23-15/h3-4,6-7,13H,1,5,8-12H2,2H3,(H,23,24)/t13-,18-,19+/m0/s1.
What are the key properties of 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one?
4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one has a molecular weight of 363.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one is sourced from PubChem (CID 121361852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).