2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile

C14H4N4O2 — CID 171734518

IUPAC2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile
SMILES[C-]#[N+]C([N+]#[C-])=c1cc/c(=c2/ccc(=C(C#N)C#N)o2)o1
InChIInChI=1S/C14H4N4O2/c1-17-14(18-2)13-6-5-12(20-13)11-4-3-10(19-11)9(7-15)8-16/h3-6H/b12-11+
InChIKeyLGDHFQPWWONXLR-VAWYXSNFSA-N
MW260.21 g/mol
LogP1.26
Rot. Bonds

About 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile

2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile (PubChem CID 171734518) has the molecular formula C14H4N4O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile
PubChem CID171734518
Molecular FormulaC14H4N4O2
Molecular Weight260.21 g/mol
Exact Mass260.03
IUPAC Name2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile
SMILES[C-]#[N+]C([N+]#[C-])=c1cc/c(=c2/ccc(=C(C#N)C#N)o2)o1
InChIInChI=1S/C14H4N4O2/c1-17-14(18-2)13-6-5-12(20-13)11-4-3-10(19-11)9(7-15)8-16/h3-6H/b12-11+
InChIKeyLGDHFQPWWONXLR-VAWYXSNFSA-N
XLogP1.26
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5E)-5-[5-(diisocyanomethylidene)-3-(4-fluorophenyl)furan-2-ylidene]-4-(4-fluorophenyl)furan-2-ylidene]propanedinitrile
CID 171734477
2-[4,8-bis[3,5-difluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]-6-(diisocyanomethylidene)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
CID 159454118
2-[4-(diisocyanomethylidene)-2,5-dimethoxycyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 22090418
2-[4-[4-[cyano(isocyano)methylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
CID 123585448
2-[(16E)-16-[cyano(isocyano)methylidene]-3,4,11,12,19,20-hexafluoro-8,15-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1,3,5,9,11,13,17,19-octaen-7-ylidene]propanedinitrile
CID 157124196
2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile
CID 88853104
2-[6-(diisocyanomethylidene)-3,7-bis(3-fluorophenyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
CID 162030957
2-[4,8-bis[3,5-difluoro-4-(trifluoromethylsulfonyl)phenyl]-6-(diisocyanomethylidene)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
CID 158024639
2-[4-(diisocyanomethylidene)-2,3,5,6-tetrafluorocyclohex-2-en-1-ylidene]propanedinitrile
CID 140750591
2-[6-(diisocyanomethylidene)-4,8-difluoro-7-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
CID 158223299
2-[6-(diisocyanomethylidene)-3,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-1,5-dihydro-s-indacen-2-ylidene]propanedinitrile
CID 159188460
2-[(5E)-5-[5-(diisocyanomethylidene)-3-pyridin-3-ylthiophen-2-ylidene]-4-pyridin-3-ylthiophen-2-ylidene]propanedinitrile
CID 171734471

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile (CID 171734518) is 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile is [C-]#[N+]C([N+]#[C-])=c1cc/c(=c2/ccc(=C(C#N)C#N)o2)o1.
What is the InChIKey of 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile?
The InChIKey is LGDHFQPWWONXLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H4N4O2/c1-17-14(18-2)13-6-5-12(20-13)11-4-3-10(19-11)9(7-15)8-16/h3-6H/b12-11+.
What are the key properties of 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile?
2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile has a molecular weight of 260.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[5-(diisocyanomethylidene)furan-2-ylidene]furan-2-ylidene]propanedinitrile is sourced from PubChem (CID 171734518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).