2-quinolin-4-ylprop-2-enenitrile

C12H8N2 — CID 143863214

IUPAC2-quinolin-4-ylprop-2-enenitrile
SMILESC=C(C#N)c1ccnc2ccccc12
InChIInChI=1S/C12H8N2/c1-9(8-13)10-6-7-14-12-5-3-2-4-11(10)12/h2-7H,1H2
InChIKeyQYWMTDGRPLEAFZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.77
Rot. Bonds1

About 2-quinolin-4-ylprop-2-enenitrile

2-quinolin-4-ylprop-2-enenitrile (PubChem CID 143863214) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-quinolin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-quinolin-4-ylprop-2-enenitrile
PubChem CID143863214
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name2-quinolin-4-ylprop-2-enenitrile
SMILESC=C(C#N)c1ccnc2ccccc12
InChIInChI=1S/C12H8N2/c1-9(8-13)10-6-7-14-12-5-3-2-4-11(10)12/h2-7H,1H2
InChIKeyQYWMTDGRPLEAFZ-UHFFFAOYSA-N
XLogP2.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

quinoline-4-carbonyl cyanide
CID 119091066
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
CID 137004396
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
methyl 2-cyano-3-quinolin-4-ylprop-2-enoate
CID 91169635
(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile
CID 11964707
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
2-iodo-2-quinolin-4-ylacetonitrile
CID 57075736

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylprop-2-enenitrile?
The IUPAC name of 2-quinolin-4-ylprop-2-enenitrile (CID 143863214) is 2-quinolin-4-ylprop-2-enenitrile.
What is the SMILES notation for 2-quinolin-4-ylprop-2-enenitrile?
The canonical SMILES for 2-quinolin-4-ylprop-2-enenitrile is C=C(C#N)c1ccnc2ccccc12.
What is the InChIKey of 2-quinolin-4-ylprop-2-enenitrile?
The InChIKey is QYWMTDGRPLEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-9(8-13)10-6-7-14-12-5-3-2-4-11(10)12/h2-7H,1H2.
What are the key properties of 2-quinolin-4-ylprop-2-enenitrile?
2-quinolin-4-ylprop-2-enenitrile has a molecular weight of 180.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylprop-2-enenitrile is sourced from PubChem (CID 143863214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).