1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C11H12F3NO — CID 59284174

IUPAC1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C11H12F3NO/c1-6-9(11(12,13)14)7-4-3-5-8(7)15(2)10(6)16/h3-5H2,1-2H3
InChIKeyKQYVMTQVCDLXDF-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.20
Rot. Bonds

About 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 59284174) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID59284174
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C11H12F3NO/c1-6-9(11(12,13)14)7-4-3-5-8(7)15(2)10(6)16/h3-5H2,1-2H3
InChIKeyKQYVMTQVCDLXDF-UHFFFAOYSA-N
XLogP2.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 59284174) is 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is KQYVMTQVCDLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-9(11(12,13)14)7-4-3-5-8(7)15(2)10(6)16/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 231.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 59284174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).