2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H17N3O — CID 55028719

IUPAC2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCCO1)CCC2
InChIInChI=1S/C14H17N3O/c15-8-11-7-10-3-1-5-13(10)17-14(11)16-9-12-4-2-6-18-12/h7,12H,1-6,9H2,(H,16,17)
InChIKeyVLBTZBXWOQTIIE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds3

About 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 55028719) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID55028719
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCCO1)CCC2
InChIInChI=1S/C14H17N3O/c15-8-11-7-10-3-1-5-13(10)17-14(11)16-9-12-4-2-6-18-12/h7,12H,1-6,9H2,(H,16,17)
InChIKeyVLBTZBXWOQTIIE-UHFFFAOYSA-N
XLogP2.03
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 55028719) is 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCC1CCCO1)CCC2.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VLBTZBXWOQTIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-11-7-10-3-1-5-13(10)17-14(11)16-9-12-4-2-6-18-12/h7,12H,1-6,9H2,(H,16,17).
What are the key properties of 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 55028719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).