3-(2-methyloxolan-2-yl)propanenitrile

C8H13NO — CID 14027492

IUPAC3-(2-methyloxolan-2-yl)propanenitrile
SMILESCC1(CCC#N)CCCO1
InChIInChI=1S/C8H13NO/c1-8(4-2-6-9)5-3-7-10-8/h2-5,7H2,1H3
InChIKeyANVKKNPOBFJJLN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-methyloxolan-2-yl)propanenitrile

3-(2-methyloxolan-2-yl)propanenitrile (PubChem CID 14027492) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(2-methyloxolan-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-methyloxolan-2-yl)propanenitrile
PubChem CID14027492
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(2-methyloxolan-2-yl)propanenitrile
SMILESCC1(CCC#N)CCCO1
InChIInChI=1S/C8H13NO/c1-8(4-2-6-9)5-3-7-10-8/h2-5,7H2,1H3
InChIKeyANVKKNPOBFJJLN-UHFFFAOYSA-N
XLogP1.86
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-2-yl)propanenitrile?
The IUPAC name of 3-(2-methyloxolan-2-yl)propanenitrile (CID 14027492) is 3-(2-methyloxolan-2-yl)propanenitrile.
What is the SMILES notation for 3-(2-methyloxolan-2-yl)propanenitrile?
The canonical SMILES for 3-(2-methyloxolan-2-yl)propanenitrile is CC1(CCC#N)CCCO1.
What is the InChIKey of 3-(2-methyloxolan-2-yl)propanenitrile?
The InChIKey is ANVKKNPOBFJJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(4-2-6-9)5-3-7-10-8/h2-5,7H2,1H3.
What are the key properties of 3-(2-methyloxolan-2-yl)propanenitrile?
3-(2-methyloxolan-2-yl)propanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-2-yl)propanenitrile is sourced from PubChem (CID 14027492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).