2,2-bis(oxolan-2-yl)propanenitrile

C11H17NO2 — CID 69158395

IUPAC2,2-bis(oxolan-2-yl)propanenitrile
SMILESCC(C#N)(C1CCCO1)C1CCCO1
InChIInChI=1S/C11H17NO2/c1-11(8-12,9-4-2-6-13-9)10-5-3-7-14-10/h9-10H,2-7H2,1H3
InChIKeyNNGABDPOKLDSOV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds2

About 2,2-bis(oxolan-2-yl)propanenitrile

2,2-bis(oxolan-2-yl)propanenitrile (PubChem CID 69158395) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,2-bis(oxolan-2-yl)propanenitrile.

Molecular Properties

Compound Name2,2-bis(oxolan-2-yl)propanenitrile
PubChem CID69158395
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,2-bis(oxolan-2-yl)propanenitrile
SMILESCC(C#N)(C1CCCO1)C1CCCO1
InChIInChI=1S/C11H17NO2/c1-11(8-12,9-4-2-6-13-9)10-5-3-7-14-10/h9-10H,2-7H2,1H3
InChIKeyNNGABDPOKLDSOV-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(oxolan-2-yl)propanenitrile?
The IUPAC name of 2,2-bis(oxolan-2-yl)propanenitrile (CID 69158395) is 2,2-bis(oxolan-2-yl)propanenitrile.
What is the SMILES notation for 2,2-bis(oxolan-2-yl)propanenitrile?
The canonical SMILES for 2,2-bis(oxolan-2-yl)propanenitrile is CC(C#N)(C1CCCO1)C1CCCO1.
What is the InChIKey of 2,2-bis(oxolan-2-yl)propanenitrile?
The InChIKey is NNGABDPOKLDSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(8-12,9-4-2-6-13-9)10-5-3-7-14-10/h9-10H,2-7H2,1H3.
What are the key properties of 2,2-bis(oxolan-2-yl)propanenitrile?
2,2-bis(oxolan-2-yl)propanenitrile has a molecular weight of 195.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(oxolan-2-yl)propanenitrile is sourced from PubChem (CID 69158395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).