3-pyridin-4-yloxolane-3-carbonitrile

C10H10N2O — CID 130160291

IUPAC3-pyridin-4-yloxolane-3-carbonitrile
SMILESN#CC1(c2ccncc2)CCOC1
InChIInChI=1S/C10H10N2O/c11-7-10(3-6-13-8-10)9-1-4-12-5-2-9/h1-2,4-5H,3,6,8H2
InChIKeyDDRPQDUBABNJIN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.26
Rot. Bonds1

About 3-pyridin-4-yloxolane-3-carbonitrile

3-pyridin-4-yloxolane-3-carbonitrile (PubChem CID 130160291) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-pyridin-4-yloxolane-3-carbonitrile.

Molecular Properties

Compound Name3-pyridin-4-yloxolane-3-carbonitrile
PubChem CID130160291
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-pyridin-4-yloxolane-3-carbonitrile
SMILESN#CC1(c2ccncc2)CCOC1
InChIInChI=1S/C10H10N2O/c11-7-10(3-6-13-8-10)9-1-4-12-5-2-9/h1-2,4-5H,3,6,8H2
InChIKeyDDRPQDUBABNJIN-UHFFFAOYSA-N
XLogP1.26
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)oxolane-3-carbonitrile
CID 97052382
(3S)-3-(4-bromophenyl)oxolane-3-carbonitrile
CID 124544632
1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 22314789
(3S)-3-(3-methylphenyl)oxolane-3-carbonitrile
CID 125063215
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
(3R)-3-(4-methylphenyl)oxane-3-carbonitrile
CID 125449794
3-(4-methylphenyl)oxane-3-carbonitrile
CID 131631913
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
(3R)-3-(4-bromophenyl)oxane-3-carbonitrile
CID 125449886
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
CID 130407792
4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 80524226
3-methyl-1-pyridin-4-ylcyclobutane-1-carbonitrile
CID 80524343

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxolane-3-carbonitrile?
The IUPAC name of 3-pyridin-4-yloxolane-3-carbonitrile (CID 130160291) is 3-pyridin-4-yloxolane-3-carbonitrile.
What is the SMILES notation for 3-pyridin-4-yloxolane-3-carbonitrile?
The canonical SMILES for 3-pyridin-4-yloxolane-3-carbonitrile is N#CC1(c2ccncc2)CCOC1.
What is the InChIKey of 3-pyridin-4-yloxolane-3-carbonitrile?
The InChIKey is DDRPQDUBABNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-10(3-6-13-8-10)9-1-4-12-5-2-9/h1-2,4-5H,3,6,8H2.
What are the key properties of 3-pyridin-4-yloxolane-3-carbonitrile?
3-pyridin-4-yloxolane-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxolane-3-carbonitrile is sourced from PubChem (CID 130160291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).