(Z)-2-(2-methoxyphenyl)but-2-enedinitrile

C11H8N2O — CID 67067007

IUPAC(Z)-2-(2-methoxyphenyl)but-2-enedinitrile
SMILESCOc1ccccc1/C(C#N)=C/C#N
InChIInChI=1S/C11H8N2O/c1-14-11-5-3-2-4-10(11)9(8-13)6-7-12/h2-6H,1H3/b9-6+
InChIKeyVCGDVLFRVOISTA-RMKNXTFCSA-N
MW184.20 g/mol
LogP2.13
Rot. Bonds2

About (Z)-2-(2-methoxyphenyl)but-2-enedinitrile

(Z)-2-(2-methoxyphenyl)but-2-enedinitrile (PubChem CID 67067007) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (Z)-2-(2-methoxyphenyl)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-(2-methoxyphenyl)but-2-enedinitrile
PubChem CID67067007
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(Z)-2-(2-methoxyphenyl)but-2-enedinitrile
SMILESCOc1ccccc1/C(C#N)=C/C#N
InChIInChI=1S/C11H8N2O/c1-14-11-5-3-2-4-10(11)9(8-13)6-7-12/h2-6H,1H3/b9-6+
InChIKeyVCGDVLFRVOISTA-RMKNXTFCSA-N
XLogP2.13
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 ≤ 52.13
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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Related Compounds

3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
2-(2-cyanophenyl)but-2-enedinitrile
CID 54129763
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 2-methoxybenzoate
CID 39113074
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(Z)-3-chloro-3-(2,6-dimethoxyphenyl)prop-2-enenitrile
CID 43155465
3-chloro-3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 76922450
(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)prop-2-enenitrile
CID 6015742
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 2,2,2-trichloroacetate
CID 39113423
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] (E)-3-phenylprop-2-enoate
CID 39113486
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]-2-methoxyphenyl] 2-fluorobenzoate
CID 39114380

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methoxyphenyl)but-2-enedinitrile?
The IUPAC name of (Z)-2-(2-methoxyphenyl)but-2-enedinitrile (CID 67067007) is (Z)-2-(2-methoxyphenyl)but-2-enedinitrile.
What is the SMILES notation for (Z)-2-(2-methoxyphenyl)but-2-enedinitrile?
The canonical SMILES for (Z)-2-(2-methoxyphenyl)but-2-enedinitrile is COc1ccccc1/C(C#N)=C/C#N.
What is the InChIKey of (Z)-2-(2-methoxyphenyl)but-2-enedinitrile?
The InChIKey is VCGDVLFRVOISTA-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H8N2O/c1-14-11-5-3-2-4-10(11)9(8-13)6-7-12/h2-6H,1H3/b9-6+.
What are the key properties of (Z)-2-(2-methoxyphenyl)but-2-enedinitrile?
(Z)-2-(2-methoxyphenyl)but-2-enedinitrile has a molecular weight of 184.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methoxyphenyl)but-2-enedinitrile is sourced from PubChem (CID 67067007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).