1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid

C15H17N3O2 — CID 63721224

IUPAC1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nc3c(cc2C#N)CCC3)CC1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)15(19)20)14-11(6-16)5-10-3-2-4-13(10)17-14/h5,9,12H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyACEQQUXWELURSR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.60
Rot. Bonds2

About 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721224) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721224
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nc3c(cc2C#N)CCC3)CC1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)15(19)20)14-11(6-16)5-10-3-2-4-13(10)17-14/h5,9,12H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyACEQQUXWELURSR-UHFFFAOYSA-N
XLogP1.60
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721224) is 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(c2nc3c(cc2C#N)CCC3)CC1C(=O)O.
What is the InChIKey of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ACEQQUXWELURSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-7-18(8-12(9)15(19)20)14-11(6-16)5-10-3-2-4-13(10)17-14/h5,9,12H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).