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

C19H21F2NO3 — CID 121362103

IUPAC4-[[(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
SMILESC=CC[C@@]12CCC[C@]1(OCc1cccc3c1C(F)(F)C(=O)N3)OCC2
InChIInChI=1S/C19H21F2NO3/c1-2-7-17-8-4-9-18(17,24-11-10-17)25-12-13-5-3-6-14-15(13)19(20,21)16(23)22-14/h2-3,5-6H,1,4,7-12H2,(H,22,23)/t17-,18+/m0/s1
InChIKeyCOYICKWZXQAQQE-ZWKOTPCHSA-N
MW349.38 g/mol
LogP4.11
Rot. Bonds5

About 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

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 (PubChem CID 121362103) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[(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
PubChem CID121362103
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name4-[[(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
SMILESC=CC[C@@]12CCC[C@]1(OCc1cccc3c1C(F)(F)C(=O)N3)OCC2
InChIInChI=1S/C19H21F2NO3/c1-2-7-17-8-4-9-18(17,24-11-10-17)25-12-13-5-3-6-14-15(13)19(20,21)16(23)22-14/h2-3,5-6H,1,4,7-12H2,(H,22,23)/t17-,18+/m0/s1
InChIKeyCOYICKWZXQAQQE-ZWKOTPCHSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@]12CCC[C@]1(OCc1cccc3c1C(F)(F)C(=O)N3)OCC2.
What is the InChIKey of 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?
The InChIKey is COYICKWZXQAQQE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-2-7-17-8-4-9-18(17,24-11-10-17)25-12-13-5-3-6-14-15(13)19(20,21)16(23)22-14/h2-3,5-6H,1,4,7-12H2,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 349.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121362103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).