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

C13H18N2O — CID 82523085

IUPAC3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(N)c1cc2c(n(C3CC3)c1=O)CCC2
InChIInChI=1S/C13H18N2O/c1-8(14)11-7-9-3-2-4-12(9)15(13(11)16)10-5-6-10/h7-8,10H,2-6,14H2,1H3
InChIKeyJJAILQKXOPHVKA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.69
Rot. Bonds2

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

3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523085) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523085
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(N)c1cc2c(n(C3CC3)c1=O)CCC2
InChIInChI=1S/C13H18N2O/c1-8(14)11-7-9-3-2-4-12(9)15(13(11)16)10-5-6-10/h7-8,10H,2-6,14H2,1H3
InChIKeyJJAILQKXOPHVKA-UHFFFAOYSA-N
XLogP1.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523085) is 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(N)c1cc2c(n(C3CC3)c1=O)CCC2.
What is the InChIKey of 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is JJAILQKXOPHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(14)11-7-9-3-2-4-12(9)15(13(11)16)10-5-6-10/h7-8,10H,2-6,14H2,1H3.
What are the key properties of 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).