3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione

C17H13F3N2O3 — CID 163259020

IUPAC3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3=c4c2cc(C(F)(F)F)cc4=CCC3)C(=O)N1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)9-6-8-2-1-3-10-14(8)12(7-9)22(16(10)25)11-4-5-13(23)21-15(11)24/h2,6-7,11H,1,3-5H2,(H,21,23,24)
InChIKeyBDQRJTWKXCZGHN-UHFFFAOYSA-N
MW350.30 g/mol
LogP0.58
Rot. Bonds1

About 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 163259020) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID163259020
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3=c4c2cc(C(F)(F)F)cc4=CCC3)C(=O)N1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)9-6-8-2-1-3-10-14(8)12(7-9)22(16(10)25)11-4-5-13(23)21-15(11)24/h2,6-7,11H,1,3-5H2,(H,21,23,24)
InChIKeyBDQRJTWKXCZGHN-UHFFFAOYSA-N
XLogP0.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 163259020) is 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)C3=c4c2cc(C(F)(F)F)cc4=CCC3)C(=O)N1.
What is the InChIKey of 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is BDQRJTWKXCZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)9-6-8-2-1-3-10-14(8)12(7-9)22(16(10)25)11-4-5-13(23)21-15(11)24/h2,6-7,11H,1,3-5H2,(H,21,23,24).
What are the key properties of 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione?
3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 350.30 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 163259020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).