2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile

C16H10N2O2 — CID 88891373

IUPAC2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1C=CC(C2OC=CO2)c2ccccc21
InChIInChI=1S/C16H10N2O2/c17-9-11(10-18)12-5-6-15(16-19-7-8-20-16)14-4-2-1-3-13(12)14/h1-8,15-16H
InChIKeyBOYSZUKISYKYOH-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds1

About 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile

2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile (PubChem CID 88891373) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile
PubChem CID88891373
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1C=CC(C2OC=CO2)c2ccccc21
InChIInChI=1S/C16H10N2O2/c17-9-11(10-18)12-5-6-15(16-19-7-8-20-16)14-4-2-1-3-13(12)14/h1-8,15-16H
InChIKeyBOYSZUKISYKYOH-UHFFFAOYSA-N
XLogP2.98
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile (CID 88891373) is 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile is N#CC(C#N)=C1C=CC(C2OC=CO2)c2ccccc21.
What is the InChIKey of 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile?
The InChIKey is BOYSZUKISYKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-9-11(10-18)12-5-6-15(16-19-7-8-20-16)14-4-2-1-3-13(12)14/h1-8,15-16H.
What are the key properties of 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile?
2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile has a molecular weight of 262.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile is sourced from PubChem (CID 88891373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).