spiro[4.6]undecane-2,3-dicarbonitrile

C13H18N2 — CID 70984843

IUPACspiro[4.6]undecane-2,3-dicarbonitrile
SMILESN#CC1CC2(CCCCCC2)CC1C#N
InChIInChI=1S/C13H18N2/c14-9-11-7-13(8-12(11)10-15)5-3-1-2-4-6-13/h11-12H,1-8H2
InChIKeyBFHSYKCYQQBXTO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds

About spiro[4.6]undecane-2,3-dicarbonitrile

spiro[4.6]undecane-2,3-dicarbonitrile (PubChem CID 70984843) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is spiro[4.6]undecane-2,3-dicarbonitrile.

Molecular Properties

Compound Namespiro[4.6]undecane-2,3-dicarbonitrile
PubChem CID70984843
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Namespiro[4.6]undecane-2,3-dicarbonitrile
SMILESN#CC1CC2(CCCCCC2)CC1C#N
InChIInChI=1S/C13H18N2/c14-9-11-7-13(8-12(11)10-15)5-3-1-2-4-6-13/h11-12H,1-8H2
InChIKeyBFHSYKCYQQBXTO-UHFFFAOYSA-N
XLogP3.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[4.6]undecane-2,3-dicarbonitrile?
The IUPAC name of spiro[4.6]undecane-2,3-dicarbonitrile (CID 70984843) is spiro[4.6]undecane-2,3-dicarbonitrile.
What is the SMILES notation for spiro[4.6]undecane-2,3-dicarbonitrile?
The canonical SMILES for spiro[4.6]undecane-2,3-dicarbonitrile is N#CC1CC2(CCCCCC2)CC1C#N.
What is the InChIKey of spiro[4.6]undecane-2,3-dicarbonitrile?
The InChIKey is BFHSYKCYQQBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-9-11-7-13(8-12(11)10-15)5-3-1-2-4-6-13/h11-12H,1-8H2.
What are the key properties of spiro[4.6]undecane-2,3-dicarbonitrile?
spiro[4.6]undecane-2,3-dicarbonitrile has a molecular weight of 202.30 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.6]undecane-2,3-dicarbonitrile is sourced from PubChem (CID 70984843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).