2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile

C17H13N3 — CID 789816

IUPAC2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile
SMILESC=CCN1C=CC(=CC=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C17H13N3/c1-2-10-20-11-9-15(8-7-14(12-18)13-19)16-5-3-4-6-17(16)20/h2-9,11H,1,10H2
InChIKeyVXGCBVDPCCTFNU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.56
Rot. Bonds3

About 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile

2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile (PubChem CID 789816) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile
PubChem CID789816
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile
SMILESC=CCN1C=CC(=CC=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C17H13N3/c1-2-10-20-11-9-15(8-7-14(12-18)13-19)16-5-3-4-6-17(16)20/h2-9,11H,1,10H2
InChIKeyVXGCBVDPCCTFNU-UHFFFAOYSA-N
XLogP3.56
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol
CID 171517553
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
2-[2-(1-benzyl-4-pyridinylidene)ethylidene]propanedinitrile
CID 678888
2-[4-[(2Z)-1-cyano-2-(1-hexadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 177444113
(4E)-4-(2,2-dimethylbut-3-enylidene)-1-ethylquinoline
CID 173492579
2-(2-oxo-1-prop-2-enylindol-3-ylidene)propanedinitrile
CID 3514476
4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
2-[[bis(4-fluorophenyl)boranyl-(4-fluorophenyl)methylidene]amino]-4-(1-ethylquinolin-4-ylidene)but-2-enoic acid
CID 88617215
(4Z)-4-[(2,6-dinitrophenyl)methylidene]-1-ethylquinoline
CID 21430950
11-prop-2-enylbenzo[b][1]benzazepine
CID 12580540
4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385220
2-[(1-benzylquinolin-4-ylidene)methyl]-4-[(1-benzyl-2H-quinolin-4-yl)methylidene]-3-iodocyclobut-2-en-1-ol
CID 151918590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile?
The IUPAC name of 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile (CID 789816) is 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile?
The canonical SMILES for 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile is C=CCN1C=CC(=CC=C(C#N)C#N)c2ccccc21.
What is the InChIKey of 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile?
The InChIKey is VXGCBVDPCCTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-10-20-11-9-15(8-7-14(12-18)13-19)16-5-3-4-6-17(16)20/h2-9,11H,1,10H2.
What are the key properties of 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile?
2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile has a molecular weight of 259.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile is sourced from PubChem (CID 789816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).