(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione

C21H18F3NO3 — CID 177431041

IUPAC(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione
SMILESCc1c(/C(=C2/C(=O)OC(=O)C2=C2CCCC2)C(F)(F)F)c2ccccc2n1C
InChIInChI=1S/C21H18F3NO3/c1-11-15(13-9-5-6-10-14(13)25(11)2)18(21(22,23)24)17-16(12-7-3-4-8-12)19(26)28-20(17)27/h5-6,9-10H,3-4,7-8H2,1-2H3/b18-17-
InChIKeySSOFBXLPHWLWRY-ZCXUNETKSA-N
MW389.37 g/mol
LogP4.76
Rot. Bonds1

About (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione

(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione (PubChem CID 177431041) has the molecular formula C21H18F3NO3 and a molecular weight of 389.37 g/mol. Its IUPAC name is (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione.

Molecular Properties

Compound Name(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione
PubChem CID177431041
Molecular FormulaC21H18F3NO3
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC Name(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione
SMILESCc1c(/C(=C2/C(=O)OC(=O)C2=C2CCCC2)C(F)(F)F)c2ccccc2n1C
InChIInChI=1S/C21H18F3NO3/c1-11-15(13-9-5-6-10-14(13)25(11)2)18(21(22,23)24)17-16(12-7-3-4-8-12)19(26)28-20(17)27/h5-6,9-10H,3-4,7-8H2,1-2H3/b18-17-
InChIKeySSOFBXLPHWLWRY-ZCXUNETKSA-N
XLogP4.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione?
The IUPAC name of (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione (CID 177431041) is (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione.
What is the SMILES notation for (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione?
The canonical SMILES for (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione is Cc1c(/C(=C2/C(=O)OC(=O)C2=C2CCCC2)C(F)(F)F)c2ccccc2n1C.
What is the InChIKey of (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione?
The InChIKey is SSOFBXLPHWLWRY-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H18F3NO3/c1-11-15(13-9-5-6-10-14(13)25(11)2)18(21(22,23)24)17-16(12-7-3-4-8-12)19(26)28-20(17)27/h5-6,9-10H,3-4,7-8H2,1-2H3/b18-17-.
What are the key properties of (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione?
(4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione has a molecular weight of 389.37 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-cyclopentylidene-4-[1-(1,2-dimethylindol-3-yl)-2,2,2-trifluoroethylidene]oxolane-2,5-dione is sourced from PubChem (CID 177431041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).