ethene-1,1,2,2-tetracarbonitrile;pyrene

C22H10N4 — CID 15821675

IUPACethene-1,1,2,2-tetracarbonitrile;pyrene
SMILESN#CC(C#N)=C(C#N)C#N.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C6N4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;7-1-5(2-8)6(3-9)4-10/h1-10H;
InChIKeyULSRMTQRNBNPAH-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.96
Rot. Bonds

About ethene-1,1,2,2-tetracarbonitrile;pyrene

ethene-1,1,2,2-tetracarbonitrile;pyrene (PubChem CID 15821675) has the molecular formula C22H10N4 and a molecular weight of 330.35 g/mol. Its IUPAC name is ethene-1,1,2,2-tetracarbonitrile;pyrene.

Molecular Properties

Compound Nameethene-1,1,2,2-tetracarbonitrile;pyrene
PubChem CID15821675
Molecular FormulaC22H10N4
Molecular Weight330.35 g/mol
Exact Mass330.09
IUPAC Nameethene-1,1,2,2-tetracarbonitrile;pyrene
SMILESN#CC(C#N)=C(C#N)C#N.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C6N4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;7-1-5(2-8)6(3-9)4-10/h1-10H;
InChIKeyULSRMTQRNBNPAH-UHFFFAOYSA-N
XLogP4.96
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene-1,1,2,2-tetracarbonitrile;pyrene?
The IUPAC name of ethene-1,1,2,2-tetracarbonitrile;pyrene (CID 15821675) is ethene-1,1,2,2-tetracarbonitrile;pyrene.
What is the SMILES notation for ethene-1,1,2,2-tetracarbonitrile;pyrene?
The canonical SMILES for ethene-1,1,2,2-tetracarbonitrile;pyrene is N#CC(C#N)=C(C#N)C#N.c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of ethene-1,1,2,2-tetracarbonitrile;pyrene?
The InChIKey is ULSRMTQRNBNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C6N4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;7-1-5(2-8)6(3-9)4-10/h1-10H;.
What are the key properties of ethene-1,1,2,2-tetracarbonitrile;pyrene?
ethene-1,1,2,2-tetracarbonitrile;pyrene has a molecular weight of 330.35 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,1,2,2-tetracarbonitrile;pyrene is sourced from PubChem (CID 15821675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).