4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile

C11H8N2O — CID 13444746

IUPAC4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile
SMILESCO/C=C(\C#N)c1ccc(C#N)cc1
InChIInChI=1S/C11H8N2O/c1-14-8-11(7-13)10-4-2-9(6-12)3-5-10/h2-5,8H,1H3/b11-8+
InChIKeySEPGYLNGPZKTAB-DHZHZOJOSA-N
MW184.20 g/mol
LogP2.07
Rot. Bonds2

About 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile

4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile (PubChem CID 13444746) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile
PubChem CID13444746
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile
SMILESCO/C=C(\C#N)c1ccc(C#N)cc1
InChIInChI=1S/C11H8N2O/c1-14-8-11(7-13)10-4-2-9(6-12)3-5-10/h2-5,8H,1H3/b11-8+
InChIKeySEPGYLNGPZKTAB-DHZHZOJOSA-N
XLogP2.07
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
CID 2232217
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile
CID 2968800
4-[(E)-1-cyano-2-(3,5-dibromo-4-methylphenyl)ethenyl]benzonitrile
CID 126373068
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
4-[(E)-1-cyano-2-(3,5-diiodo-4-propan-2-yloxyphenyl)ethenyl]benzonitrile
CID 126372587
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(E)-1-cyano-2-(5-iodofuran-2-yl)ethenyl]benzonitrile
CID 2231926
[2-cyano-2-(4-methylphenyl)ethenyl] methanesulfonate
CID 54287399
4-[(Z)-1-cyano-2-(1-ethyl-2-methylindol-3-yl)ethenyl]benzonitrile
CID 967502

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile (CID 13444746) is 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile is CO/C=C(\C#N)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile?
The InChIKey is SEPGYLNGPZKTAB-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H8N2O/c1-14-8-11(7-13)10-4-2-9(6-12)3-5-10/h2-5,8H,1H3/b11-8+.
What are the key properties of 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile?
4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile is sourced from PubChem (CID 13444746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).