4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile

C13H12N2 — CID 13182844

IUPAC4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile
SMILESN#Cc1ccc(/C=C2/C=NCCC2)cc1
InChIInChI=1S/C13H12N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h3-6,8,10H,1-2,7H2/b13-8+
InChIKeyVMOYWXSDRUYWPL-MDWZMJQESA-N
MW196.25 g/mol
LogP2.81
Rot. Bonds1

About 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile

4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile (PubChem CID 13182844) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile
PubChem CID13182844
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile
SMILESN#Cc1ccc(/C=C2/C=NCCC2)cc1
InChIInChI=1S/C13H12N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h3-6,8,10H,1-2,7H2/b13-8+
InChIKeyVMOYWXSDRUYWPL-MDWZMJQESA-N
XLogP2.81
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(E)-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxooxan-3-ylidene]methyl]benzonitrile
CID 75533680
CID 101083027
CID 101083027
4-formylbenzonitrile;methane
CID 143070509
4-(1,4-benzoxazin-2-ylidenemethyl)benzonitrile
CID 54363780
4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
CID 10644308
4-prop-1-enylbenzonitrile
CID 68719840
4-[(E)-[(5Z)-5-[(4-cyanophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzonitrile
CID 27112121
CID 139265768
CID 139265768
4-(piperidin-1-yliminomethyl)benzonitrile
CID 2391650
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile?
The IUPAC name of 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile (CID 13182844) is 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile.
What is the SMILES notation for 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile?
The canonical SMILES for 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile is N#Cc1ccc(/C=C2/C=NCCC2)cc1.
What is the InChIKey of 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile?
The InChIKey is VMOYWXSDRUYWPL-MDWZMJQESA-N. The full InChI is InChI=1S/C13H12N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h3-6,8,10H,1-2,7H2/b13-8+.
What are the key properties of 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile?
4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,4-dihydro-2H-pyridin-5-ylidenemethyl]benzonitrile is sourced from PubChem (CID 13182844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).