oxolane-2,2,3,3-tetracarbonitrile

C8H4N4O — CID 88840128

IUPACoxolane-2,2,3,3-tetracarbonitrile
SMILESN#CC1(C#N)CCOC1(C#N)C#N
InChIInChI=1S/C8H4N4O/c9-3-7(4-10)1-2-13-8(7,5-11)6-12/h1-2H2
InChIKeyHBVRUASEMJFAOB-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.23
Rot. Bonds

About oxolane-2,2,3,3-tetracarbonitrile

oxolane-2,2,3,3-tetracarbonitrile (PubChem CID 88840128) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is oxolane-2,2,3,3-tetracarbonitrile.

Molecular Properties

Compound Nameoxolane-2,2,3,3-tetracarbonitrile
PubChem CID88840128
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Nameoxolane-2,2,3,3-tetracarbonitrile
SMILESN#CC1(C#N)CCOC1(C#N)C#N
InChIInChI=1S/C8H4N4O/c9-3-7(4-10)1-2-13-8(7,5-11)6-12/h1-2H2
InChIKeyHBVRUASEMJFAOB-UHFFFAOYSA-N
XLogP0.23
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,2-dimethyloxane-4-carbonitrile
CID 83086923
(4S)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
CID 7560630
4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 82399553
(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
CID 7560631
5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile
CID 86240881
4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
CID 91600100
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
2,2,3,3-tetrachlorooxolane;tungsten
CID 159363671
7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10654993
3,3-dibromo-2-(4-methylphenyl)oxolane-2-carbonitrile
CID 13097778
3-aminooxolane-3-carbonitrile;hydrochloride
CID 54595595
2,3-dihydropyran-4,4-dicarbonitrile
CID 175927713

Frequently Asked Questions

What is the IUPAC name of oxolane-2,2,3,3-tetracarbonitrile?
The IUPAC name of oxolane-2,2,3,3-tetracarbonitrile (CID 88840128) is oxolane-2,2,3,3-tetracarbonitrile.
What is the SMILES notation for oxolane-2,2,3,3-tetracarbonitrile?
The canonical SMILES for oxolane-2,2,3,3-tetracarbonitrile is N#CC1(C#N)CCOC1(C#N)C#N.
What is the InChIKey of oxolane-2,2,3,3-tetracarbonitrile?
The InChIKey is HBVRUASEMJFAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-3-7(4-10)1-2-13-8(7,5-11)6-12/h1-2H2.
What are the key properties of oxolane-2,2,3,3-tetracarbonitrile?
oxolane-2,2,3,3-tetracarbonitrile has a molecular weight of 172.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,2,3,3-tetracarbonitrile is sourced from PubChem (CID 88840128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).