4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C13H17F2NO — CID 164772434

IUPAC4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1c(C(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H17F2NO/c1-7(2)10-11(12(14)15)8-5-4-6-9(8)16(3)13(10)17/h7,12H,4-6H2,1-3H3
InChIKeyLYGIZLMEAQDYGS-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.93
Rot. Bonds2

About 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 164772434) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID164772434
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1c(C(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H17F2NO/c1-7(2)10-11(12(14)15)8-5-4-6-9(8)16(3)13(10)17/h7,12H,4-6H2,1-3H3
InChIKeyLYGIZLMEAQDYGS-UHFFFAOYSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 164772434) is 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(C)c1c(C(F)F)c2c(n(C)c1=O)CCC2.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is LYGIZLMEAQDYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-7(2)10-11(12(14)15)8-5-4-6-9(8)16(3)13(10)17/h7,12H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 241.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 164772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).