1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C11H16N2O — CID 117003235

IUPAC1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H16N2O/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h3,11H,1-2,4-7,9H2
InChIKeyWVIKWZCAONJZAA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.32
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 117003235) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID117003235
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H16N2O/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h3,11H,1-2,4-7,9H2
InChIKeyWVIKWZCAONJZAA-UHFFFAOYSA-N
XLogP1.32
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 117003235) is 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is N#CC1=CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is WVIKWZCAONJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h3,11H,1-2,4-7,9H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 117003235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).