3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile

C10H14N2O — CID 13214164

IUPAC3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
SMILESN#CCCC1(CCC#N)CCCO1
InChIInChI=1S/C10H14N2O/c11-7-1-4-10(5-2-8-12)6-3-9-13-10/h1-6,9H2
InChIKeyILVQYCHZALEENL-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.14
Rot. Bonds4

About 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile

3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile (PubChem CID 13214164) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
PubChem CID13214164
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
SMILESN#CCCC1(CCC#N)CCCO1
InChIInChI=1S/C10H14N2O/c11-7-1-4-10(5-2-8-12)6-3-9-13-10/h1-6,9H2
InChIKeyILVQYCHZALEENL-UHFFFAOYSA-N
XLogP2.14
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluorocyclohexyl)propanenitrile
CID 84763610
2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
CID 67192270
2-butyl-2-ethyloxolane;methane
CID 159867268
CID 71376373
CID 71376373
3-(1-methylcyclobutyl)propanenitrile
CID 59843558
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
3-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)propanenitrile
CID 174926970
3-(2-cyanoethyl)-1,2,4-trioxolane-3-carbonitrile
CID 14663554
N-methyl-1-(2-propyloxolan-2-yl)methanamine
CID 131230120
3-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propanenitrile
CID 116986878
2,2-bis(4,4-difluorobutyl)oxane
CID 57090603
2-[2-(2-hydroxyethyl)oxolan-2-yl]acetic acid
CID 57203496

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile?
The IUPAC name of 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile (CID 13214164) is 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile.
What is the SMILES notation for 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile?
The canonical SMILES for 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile is N#CCCC1(CCC#N)CCCO1.
What is the InChIKey of 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile?
The InChIKey is ILVQYCHZALEENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-7-1-4-10(5-2-8-12)6-3-9-13-10/h1-6,9H2.
What are the key properties of 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile?
3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile has a molecular weight of 178.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile is sourced from PubChem (CID 13214164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).