3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C9H10F2N2O — CID 119054877

IUPAC3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNc1cc2c(n(C(F)F)c1=O)CCC2
InChIInChI=1S/C9H10F2N2O/c10-9(11)13-7-3-1-2-5(7)4-6(12)8(13)14/h4,9H,1-3,12H2
InChIKeyXFQZFIUAKCQMKP-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.31
Rot. Bonds1

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

3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 119054877) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID119054877
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNc1cc2c(n(C(F)F)c1=O)CCC2
InChIInChI=1S/C9H10F2N2O/c10-9(11)13-7-3-1-2-5(7)4-6(12)8(13)14/h4,9H,1-3,12H2
InChIKeyXFQZFIUAKCQMKP-UHFFFAOYSA-N
XLogP1.31
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
(12Z)-8,8-difluoro-2-methyl-11-methylidene-3,4,6,7,9,10-hexahydropyrazino[1,2-a]azonin-1-one
CID 117810116
1-Methyl-4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 146566983
3-Amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one
CID 171484670
3-Amino-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 33698426
1-[2-(2,2,2-trifluoroethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104248061
1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390996
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113807418
1-Difluoromethyl-3-nitro-1,5,6,7-tetrahydro-[1]pyrindin-2-one
CID 119054876
3-Amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one
CID 167641664
2H-Indol-2-one, 3-amino-1,4,5,6-tetrahydro-
CID 13469993
3-Amino-1-isopropyl-5,6-dihydro-1H-indol-2(4H)-one
CID 13469996

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 119054877) is 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Nc1cc2c(n(C(F)F)c1=O)CCC2.
What is the InChIKey of 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is XFQZFIUAKCQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11)13-7-3-1-2-5(7)4-6(12)8(13)14/h4,9H,1-3,12H2.
What are the key properties of 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 200.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 119054877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).