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

C11H13F3N2O — CID 113390996

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNCC(n1c2c(ccc1=O)CCC2)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9(6-15)16-8-3-1-2-7(8)4-5-10(16)17/h4-5,9H,1-3,6,15H2
InChIKeyINVSSOZRKRWLDC-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.40
Rot. Bonds2

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

1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 113390996) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID113390996
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNCC(n1c2c(ccc1=O)CCC2)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9(6-15)16-8-3-1-2-7(8)4-5-10(16)17/h4-5,9H,1-3,6,15H2
InChIKeyINVSSOZRKRWLDC-UHFFFAOYSA-N
XLogP1.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
5-Amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 129078756
6-(2,2,2-trifluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553317
6-(2,2-difluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553363
5-(2-Methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 156504794
3-(Trifluoromethyl)-1,5,6,7,8,9-hexahydropyrido[2,3-c]azepin-2-one
CID 171776896
(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808277
1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808547
1-[2-(Ethylamino)pentyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279620
1-[2-(Methylamino)pentyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279621
1-(2-Aminobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279622
1-(2-Aminopentyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279658

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 113390996) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is NCC(n1c2c(ccc1=O)CCC2)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is INVSSOZRKRWLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9(6-15)16-8-3-1-2-7(8)4-5-10(16)17/h4-5,9H,1-3,6,15H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 113390996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).