2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile

C17H10N2O — CID 145410467

IUPAC2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile
SMILESC=CC1=C(C=C)C(=C(C#N)C#N)c2ccccc2C1=O
InChIInChI=1S/C17H10N2O/c1-3-12-13(4-2)17(20)15-8-6-5-7-14(15)16(12)11(9-18)10-19/h3-8H,1-2H2
InChIKeyBUOZBRRPFUMTRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.35
Rot. Bonds2

About 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile

2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile (PubChem CID 145410467) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile
PubChem CID145410467
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile
SMILESC=CC1=C(C=C)C(=C(C#N)C#N)c2ccccc2C1=O
InChIInChI=1S/C17H10N2O/c1-3-12-13(4-2)17(20)15-8-6-5-7-14(15)16(12)11(9-18)10-19/h3-8H,1-2H2
InChIKeyBUOZBRRPFUMTRH-UHFFFAOYSA-N
XLogP3.35
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(2-ethylidene-3-oxoinden-1-ylidene)propanedinitrile
CID 91121184
2-[(2E)-2-(iodomethylidene)-3-oxoinden-1-ylidene]propanedinitrile
CID 135210399
2-(2-oxo-3H-inden-1-ylidene)propanedinitrile
CID 135563830
2-(2-oxo-1-prop-2-enylindol-3-ylidene)propanedinitrile
CID 3514476
2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one
CID 142288165
2-[3-(dicyanomethylidene)-2-(2,2-dimethylpropylidene)inden-1-ylidene]propanedinitrile
CID 153023687
2-[(2E)-2-[[5-(methylamino)thiophen-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 142499722
2-[(2Z)-2-[(2,2,7,7,12,12,17,17-octamethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,10,13,15,18-octaen-5-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 102085393
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
2-[(2Z)-2-[[4-methyl-5-(1-sulfanylethenyl)thiolan-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 149372948
2-[(2Z)-1,1-dioxo-2-(sulfanylmethylidene)-1-benzothiophen-3-ylidene]propanedinitrile
CID 149082460
2-[2-[[4-[[1,3-bis(dicyanomethylidene)inden-2-ylidene]methyl]-2,5-dihydroxyphenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile
CID 89116270

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile?
The IUPAC name of 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile (CID 145410467) is 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile is C=CC1=C(C=C)C(=C(C#N)C#N)c2ccccc2C1=O.
What is the InChIKey of 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile?
The InChIKey is BUOZBRRPFUMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c1-3-12-13(4-2)17(20)15-8-6-5-7-14(15)16(12)11(9-18)10-19/h3-8H,1-2H2.
What are the key properties of 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile?
2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile has a molecular weight of 258.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile is sourced from PubChem (CID 145410467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).