2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile

C18H8N4 — CID 59760724

IUPAC2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]C(C#N)=c1c2c(c(=C(C#N)[N+]#[C-])c3c1=CCC=3)=CCC=2
InChIInChI=1S/C18H8N4/c1-21-15(9-19)17-11-5-3-7-13(11)18(16(10-20)22-2)14-8-4-6-12(14)17/h5-8H,3-4H2/b17-15-,18-16+
InChIKeyIPMSMFFDROHZIA-JRDMOELTSA-N
MW280.29 g/mol
LogP-1.28
Rot. Bonds

About 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile

2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile (PubChem CID 59760724) has the molecular formula C18H8N4 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile
PubChem CID59760724
Molecular FormulaC18H8N4
Molecular Weight280.29 g/mol
Exact Mass280.07
IUPAC Name2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]C(C#N)=c1c2c(c(=C(C#N)[N+]#[C-])c3c1=CCC=3)=CCC=2
InChIInChI=1S/C18H8N4/c1-21-15(9-19)17-11-5-3-7-13(11)18(16(10-20)22-2)14-8-4-6-12(14)17/h5-8H,3-4H2/b17-15-,18-16+
InChIKeyIPMSMFFDROHZIA-JRDMOELTSA-N
XLogP-1.28
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile (CID 59760724) is 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]C(C#N)=c1c2c(c(=C(C#N)[N+]#[C-])c3c1=CCC=3)=CCC=2.
What is the InChIKey of 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile?
The InChIKey is IPMSMFFDROHZIA-JRDMOELTSA-N. The full InChI is InChI=1S/C18H8N4/c1-21-15(9-19)17-11-5-3-7-13(11)18(16(10-20)22-2)14-8-4-6-12(14)17/h5-8H,3-4H2/b17-15-,18-16+.
What are the key properties of 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile?
2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile has a molecular weight of 280.29 g/mol, XLogP of -1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[cyano(isocyano)methylidene]-2,6-dihydro-s-indacen-4-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 59760724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).