(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

C14H12F3NO — CID 102343879

IUPAC(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C(C(F)(F)F)[C@@]23C=CCN2C(=O)C=C3C1
InChIInChI=1S/C14H12F3NO/c1-2-9-6-10-8-12(19)18-5-3-4-13(10,18)11(7-9)14(15,16)17/h2-4,7-9H,1,5-6H2/t9-,13-/m0/s1
InChIKeyNYVKCFQLUZHLIB-ZANVPECISA-N
MW267.25 g/mol
LogP2.76
Rot. Bonds1

About (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one

(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (PubChem CID 102343879) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.

Molecular Properties

Compound Name(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
PubChem CID102343879
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
SMILESC=C[C@@H]1C=C(C(F)(F)F)[C@@]23C=CCN2C(=O)C=C3C1
InChIInChI=1S/C14H12F3NO/c1-2-9-6-10-8-12(19)18-5-3-4-13(10,18)11(7-9)14(15,16)17/h2-4,7-9H,1,5-6H2/t9-,13-/m0/s1
InChIKeyNYVKCFQLUZHLIB-ZANVPECISA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The IUPAC name of (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one (CID 102343879) is (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one.
What is the SMILES notation for (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The canonical SMILES for (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is C=C[C@@H]1C=C(C(F)(F)F)[C@@]23C=CCN2C(=O)C=C3C1.
What is the InChIKey of (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
The InChIKey is NYVKCFQLUZHLIB-ZANVPECISA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-9-6-10-8-12(19)18-5-3-4-13(10,18)11(7-9)14(15,16)17/h2-4,7-9H,1,5-6H2/t9-,13-/m0/s1.
What are the key properties of (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one?
(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one has a molecular weight of 267.25 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one is sourced from PubChem (CID 102343879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).