spiro[2.5]octane-2,2-dicarbonitrile

C10H12N2 — CID 533434

IUPACspiro[2.5]octane-2,2-dicarbonitrile
SMILESN#CC1(C#N)CC12CCCCC2
InChIInChI=1S/C10H12N2/c11-7-10(8-12)6-9(10)4-2-1-3-5-9/h1-6H2
InChIKeyVLZXRXNSCITITC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.37
Rot. Bonds

About spiro[2.5]octane-2,2-dicarbonitrile

spiro[2.5]octane-2,2-dicarbonitrile (PubChem CID 533434) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is spiro[2.5]octane-2,2-dicarbonitrile.

Molecular Properties

Compound Namespiro[2.5]octane-2,2-dicarbonitrile
PubChem CID533434
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Namespiro[2.5]octane-2,2-dicarbonitrile
SMILESN#CC1(C#N)CC12CCCCC2
InChIInChI=1S/C10H12N2/c11-7-10(8-12)6-9(10)4-2-1-3-5-9/h1-6H2
InChIKeyVLZXRXNSCITITC-UHFFFAOYSA-N
XLogP2.37
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octane-2,2-dicarbonitrile?
The IUPAC name of spiro[2.5]octane-2,2-dicarbonitrile (CID 533434) is spiro[2.5]octane-2,2-dicarbonitrile.
What is the SMILES notation for spiro[2.5]octane-2,2-dicarbonitrile?
The canonical SMILES for spiro[2.5]octane-2,2-dicarbonitrile is N#CC1(C#N)CC12CCCCC2.
What is the InChIKey of spiro[2.5]octane-2,2-dicarbonitrile?
The InChIKey is VLZXRXNSCITITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-7-10(8-12)6-9(10)4-2-1-3-5-9/h1-6H2.
What are the key properties of spiro[2.5]octane-2,2-dicarbonitrile?
spiro[2.5]octane-2,2-dicarbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octane-2,2-dicarbonitrile is sourced from PubChem (CID 533434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).