7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one

C10H9F3N2O — CID 23086695

IUPAC7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one
SMILESCC1CC(=O)c2cc(C(F)(F)F)nnc2C1
InChIInChI=1S/C10H9F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyBZAGMUSVBZKHGA-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.26
Rot. Bonds

About 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one

7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one (PubChem CID 23086695) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one.

Molecular Properties

Compound Name7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one
PubChem CID23086695
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one
SMILESCC1CC(=O)c2cc(C(F)(F)F)nnc2C1
InChIInChI=1S/C10H9F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyBZAGMUSVBZKHGA-UHFFFAOYSA-N
XLogP2.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one?
The IUPAC name of 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one (CID 23086695) is 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one.
What is the SMILES notation for 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one?
The canonical SMILES for 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one is CC1CC(=O)c2cc(C(F)(F)F)nnc2C1.
What is the InChIKey of 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one?
The InChIKey is BZAGMUSVBZKHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one?
7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one has a molecular weight of 230.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one is sourced from PubChem (CID 23086695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).