4-(oxolan-2-ylmethyl)oxane-4-carbonitrile

C11H17NO2 — CID 65377049

IUPAC4-(oxolan-2-ylmethyl)oxane-4-carbonitrile
SMILESN#CC1(CC2CCCO2)CCOCC1
InChIInChI=1S/C11H17NO2/c12-9-11(3-6-13-7-4-11)8-10-2-1-5-14-10/h10H,1-8H2
InChIKeyDLBPKRONFJHAIO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds2

About 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile

4-(oxolan-2-ylmethyl)oxane-4-carbonitrile (PubChem CID 65377049) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)oxane-4-carbonitrile
PubChem CID65377049
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(oxolan-2-ylmethyl)oxane-4-carbonitrile
SMILESN#CC1(CC2CCCO2)CCOCC1
InChIInChI=1S/C11H17NO2/c12-9-11(3-6-13-7-4-11)8-10-2-1-5-14-10/h10H,1-8H2
InChIKeyDLBPKRONFJHAIO-UHFFFAOYSA-N
XLogP1.88
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-[(3-fluorooxolan-3-yl)methyl]-3-methyloxolane-3-carbonitrile
CID 170358854
4,8-Bis(2-cyanoethoxy)-6,6-bis(2-cyanoethyl)undecanedinitrile
CID 167218914
1-[3-(Oxolan-2-yl)propyl]cyclohexane-1-carbonitrile
CID 65376375
1-[2-(Oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile
CID 65378250
1-(Oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
CID 65378457
2-Ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile
CID 65378490
2-Methyl-2-(oxolan-2-ylmethyl)butanenitrile
CID 65379326
4-[3-(Oxolan-2-yl)propyl]oxane-4-carbonitrile
CID 65393760
2-(3-Ethoxypropyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65393980
4-[2-(Oxolan-2-yl)ethyl]oxane-4-carbonitrile
CID 65394589
3-[2-(Oxolan-2-yl)ethyl]oxolane-3-carbonitrile
CID 65394599
2-(3-Methoxypropyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65394818

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile?
The IUPAC name of 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile (CID 65377049) is 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile is N#CC1(CC2CCCO2)CCOCC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile?
The InChIKey is DLBPKRONFJHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-9-11(3-6-13-7-4-11)8-10-2-1-5-14-10/h10H,1-8H2.
What are the key properties of 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile?
4-(oxolan-2-ylmethyl)oxane-4-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)oxane-4-carbonitrile is sourced from PubChem (CID 65377049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).