cyclopentane-1,1,2,2-tetracarbonitrile

C9H6N4 — CID 12974839

IUPACcyclopentane-1,1,2,2-tetracarbonitrile
SMILESN#CC1(C#N)CCCC1(C#N)C#N
InChIInChI=1S/C9H6N4/c10-4-8(5-11)2-1-3-9(8,6-12)7-13/h1-3H2
InChIKeyUDOHHAAUZWBZIJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.24
Rot. Bonds

About cyclopentane-1,1,2,2-tetracarbonitrile

cyclopentane-1,1,2,2-tetracarbonitrile (PubChem CID 12974839) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is cyclopentane-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Namecyclopentane-1,1,2,2-tetracarbonitrile
PubChem CID12974839
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Namecyclopentane-1,1,2,2-tetracarbonitrile
SMILESN#CC1(C#N)CCCC1(C#N)C#N
InChIInChI=1S/C9H6N4/c10-4-8(5-11)2-1-3-9(8,6-12)7-13/h1-3H2
InChIKeyUDOHHAAUZWBZIJ-UHFFFAOYSA-N
XLogP1.24
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,1,2,2-tetracarbonitrile?
The IUPAC name of cyclopentane-1,1,2,2-tetracarbonitrile (CID 12974839) is cyclopentane-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for cyclopentane-1,1,2,2-tetracarbonitrile?
The canonical SMILES for cyclopentane-1,1,2,2-tetracarbonitrile is N#CC1(C#N)CCCC1(C#N)C#N.
What is the InChIKey of cyclopentane-1,1,2,2-tetracarbonitrile?
The InChIKey is UDOHHAAUZWBZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-4-8(5-11)2-1-3-9(8,6-12)7-13/h1-3H2.
What are the key properties of cyclopentane-1,1,2,2-tetracarbonitrile?
cyclopentane-1,1,2,2-tetracarbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 12974839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).