5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile

C10H4N4 — CID 126498452

IUPAC5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
SMILESCC1C(C#N)=C(C#N)C(C#N)=C1C#N
InChIInChI=1S/C10H4N4/c1-6-7(2-11)9(4-13)10(5-14)8(6)3-12/h6H,1H3
InChIKeyQCVYKSBIHGDACS-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.32
Rot. Bonds

About 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile

5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile (PubChem CID 126498452) has the molecular formula C10H4N4 and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Name5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
PubChem CID126498452
Molecular FormulaC10H4N4
Molecular Weight180.17 g/mol
Exact Mass180.04
IUPAC Name5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
SMILESCC1C(C#N)=C(C#N)C(C#N)=C1C#N
InChIInChI=1S/C10H4N4/c1-6-7(2-11)9(4-13)10(5-14)8(6)3-12/h6H,1H3
InChIKeyQCVYKSBIHGDACS-UHFFFAOYSA-N
XLogP1.32
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The IUPAC name of 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile (CID 126498452) is 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The canonical SMILES for 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is CC1C(C#N)=C(C#N)C(C#N)=C1C#N.
What is the InChIKey of 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
The InChIKey is QCVYKSBIHGDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4/c1-6-7(2-11)9(4-13)10(5-14)8(6)3-12/h6H,1H3.
What are the key properties of 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile?
5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile has a molecular weight of 180.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 126498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).