2-(1-ethylquinolin-2-ylidene)propanedinitrile

C14H11N3 — CID 767383

IUPAC2-(1-ethylquinolin-2-ylidene)propanedinitrile
SMILESCCN1C(=C(C#N)C#N)C=Cc2ccccc21
InChIInChI=1S/C14H11N3/c1-2-17-13-6-4-3-5-11(13)7-8-14(17)12(9-15)10-16/h3-8H,2H2,1H3
InChIKeyJQNSZKXNKGTUQQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.84
Rot. Bonds1

About 2-(1-ethylquinolin-2-ylidene)propanedinitrile

2-(1-ethylquinolin-2-ylidene)propanedinitrile (PubChem CID 767383) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-ethylquinolin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-ethylquinolin-2-ylidene)propanedinitrile
PubChem CID767383
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-(1-ethylquinolin-2-ylidene)propanedinitrile
SMILESCCN1C(=C(C#N)C#N)C=Cc2ccccc21
InChIInChI=1S/C14H11N3/c1-2-17-13-6-4-3-5-11(13)7-8-14(17)12(9-15)10-16/h3-8H,2H2,1H3
InChIKeyJQNSZKXNKGTUQQ-UHFFFAOYSA-N
XLogP2.84
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylquinolin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(1-ethylquinolin-2-ylidene)propanedinitrile (CID 767383) is 2-(1-ethylquinolin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1-ethylquinolin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(1-ethylquinolin-2-ylidene)propanedinitrile is CCN1C(=C(C#N)C#N)C=Cc2ccccc21.
What is the InChIKey of 2-(1-ethylquinolin-2-ylidene)propanedinitrile?
The InChIKey is JQNSZKXNKGTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-17-13-6-4-3-5-11(13)7-8-14(17)12(9-15)10-16/h3-8H,2H2,1H3.
What are the key properties of 2-(1-ethylquinolin-2-ylidene)propanedinitrile?
2-(1-ethylquinolin-2-ylidene)propanedinitrile has a molecular weight of 221.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylquinolin-2-ylidene)propanedinitrile is sourced from PubChem (CID 767383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).