1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol

C13H19N3O — CID 62916668

IUPAC1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
SMILESNCc1cc2c(nc1N1CCC(O)C1)CCC2
InChIInChI=1S/C13H19N3O/c14-7-10-6-9-2-1-3-12(9)15-13(10)16-5-4-11(17)8-16/h6,11,17H,1-5,7-8,14H2
InChIKeyGKGHYCQAHVJMBR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds2

About 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol

1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol (PubChem CID 62916668) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
PubChem CID62916668
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
SMILESNCc1cc2c(nc1N1CCC(O)C1)CCC2
InChIInChI=1S/C13H19N3O/c14-7-10-6-9-2-1-3-12(9)15-13(10)16-5-4-11(17)8-16/h6,11,17H,1-5,7-8,14H2
InChIKeyGKGHYCQAHVJMBR-UHFFFAOYSA-N
XLogP0.60
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol (CID 62916668) is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol is NCc1cc2c(nc1N1CCC(O)C1)CCC2.
What is the InChIKey of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol?
The InChIKey is GKGHYCQAHVJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-10-6-9-2-1-3-12(9)15-13(10)16-5-4-11(17)8-16/h6,11,17H,1-5,7-8,14H2.
What are the key properties of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol?
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol has a molecular weight of 233.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 62916668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).