7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile

C18H17F3N2O2 — CID 146692139

IUPAC7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile
SMILESCOC1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C2(CCCC2)C1
InChIInChI=1S/C18H17F3N2O2/c1-25-17(14-13(18(19,20)21)5-4-8-23-14)9-12(10-22)15(24)16(11-17)6-2-3-7-16/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyQIXNZEJJKLDLDW-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.93
Rot. Bonds2

About 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile

7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile (PubChem CID 146692139) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile.

Molecular Properties

Compound Name7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile
PubChem CID146692139
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile
SMILESCOC1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C2(CCCC2)C1
InChIInChI=1S/C18H17F3N2O2/c1-25-17(14-13(18(19,20)21)5-4-8-23-14)9-12(10-22)15(24)16(11-17)6-2-3-7-16/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyQIXNZEJJKLDLDW-UHFFFAOYSA-N
XLogP3.93
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile?
The IUPAC name of 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile (CID 146692139) is 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile.
What is the SMILES notation for 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile?
The canonical SMILES for 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile is COC1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C2(CCCC2)C1.
What is the InChIKey of 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile?
The InChIKey is QIXNZEJJKLDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-17(14-13(18(19,20)21)5-4-8-23-14)9-12(10-22)15(24)16(11-17)6-2-3-7-16/h4-5,8-9H,2-3,6-7,11H2,1H3.
What are the key properties of 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile?
7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile has a molecular weight of 350.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-10-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]spiro[4.5]dec-8-ene-9-carbonitrile is sourced from PubChem (CID 146692139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).