3-methyloxolane-2,2,3,5,5-pentacarbonitrile

C10H5N5O — CID 23163300

IUPAC3-methyloxolane-2,2,3,5,5-pentacarbonitrile
SMILESCC1(C#N)CC(C#N)(C#N)OC1(C#N)C#N
InChIInChI=1S/C10H5N5O/c1-8(3-11)2-9(4-12,5-13)16-10(8,6-14)7-15/h2H2,1H3
InChIKeyVJSVMHLLVJTIJM-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.51
Rot. Bonds

About 3-methyloxolane-2,2,3,5,5-pentacarbonitrile

3-methyloxolane-2,2,3,5,5-pentacarbonitrile (PubChem CID 23163300) has the molecular formula C10H5N5O and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-methyloxolane-2,2,3,5,5-pentacarbonitrile.

Molecular Properties

Compound Name3-methyloxolane-2,2,3,5,5-pentacarbonitrile
PubChem CID23163300
Molecular FormulaC10H5N5O
Molecular Weight211.18 g/mol
Exact Mass211.05
IUPAC Name3-methyloxolane-2,2,3,5,5-pentacarbonitrile
SMILESCC1(C#N)CC(C#N)(C#N)OC1(C#N)C#N
InChIInChI=1S/C10H5N5O/c1-8(3-11)2-9(4-12,5-13)16-10(8,6-14)7-15/h2H2,1H3
InChIKeyVJSVMHLLVJTIJM-UHFFFAOYSA-N
XLogP0.51
TPSA128.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyloxolane-2,2,3,5,5-pentacarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyloxolane-2,2,3,5,5-pentacarbonitrile?
The IUPAC name of 3-methyloxolane-2,2,3,5,5-pentacarbonitrile (CID 23163300) is 3-methyloxolane-2,2,3,5,5-pentacarbonitrile.
What is the SMILES notation for 3-methyloxolane-2,2,3,5,5-pentacarbonitrile?
The canonical SMILES for 3-methyloxolane-2,2,3,5,5-pentacarbonitrile is CC1(C#N)CC(C#N)(C#N)OC1(C#N)C#N.
What is the InChIKey of 3-methyloxolane-2,2,3,5,5-pentacarbonitrile?
The InChIKey is VJSVMHLLVJTIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O/c1-8(3-11)2-9(4-12,5-13)16-10(8,6-14)7-15/h2H2,1H3.
What are the key properties of 3-methyloxolane-2,2,3,5,5-pentacarbonitrile?
3-methyloxolane-2,2,3,5,5-pentacarbonitrile has a molecular weight of 211.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxolane-2,2,3,5,5-pentacarbonitrile is sourced from PubChem (CID 23163300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).