2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C12H10N2O — CID 55207841

IUPAC2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC#CCOc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C12H10N2O/c1-2-6-15-12-10(8-13)7-9-4-3-5-11(9)14-12/h1,7H,3-6H2
InChIKeyXQJZKFXIBMBBEJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.45
Rot. Bonds2

About 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 55207841) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID55207841
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC#CCOc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C12H10N2O/c1-2-6-15-12-10(8-13)7-9-4-3-5-11(9)14-12/h1,7H,3-6H2
InChIKeyXQJZKFXIBMBBEJ-UHFFFAOYSA-N
XLogP1.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 55207841) is 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C#CCOc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is XQJZKFXIBMBBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-6-15-12-10(8-13)7-9-4-3-5-11(9)14-12/h1,7H,3-6H2.
What are the key properties of 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 55207841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).