(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid

C11H9NO2 — CID 55255959

IUPAC(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C11H9NO2/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6H,1H3,(H,13,14)/b8-6-
InChIKeyWZOYYJHVYRPTRR-VURMDHGXSA-N
MW187.20 g/mol
LogP2.05
Rot. Bonds2

About (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid

(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid (PubChem CID 55255959) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
PubChem CID55255959
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C11H9NO2/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6H,1H3,(H,13,14)/b8-6-
InChIKeyWZOYYJHVYRPTRR-VURMDHGXSA-N
XLogP2.05
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
methyl (E)-3-(4-cyanophenyl)-2-methylprop-2-enoate
CID 101164622
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
CID 6312944
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
4-[(Z)-2-isocyano-3-oxobut-1-enyl]benzonitrile
CID 58032636
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
CID 79725913
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]-2-methylprop-2-enoic acid
CID 170873087
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
4-[(E)-2-bromo-2-fluoroethenyl]benzonitrile
CID 11790880

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid (CID 55255959) is (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid is C/C(=C/c1ccc(C#N)cc1)C(=O)O.
What is the InChIKey of (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid?
The InChIKey is WZOYYJHVYRPTRR-VURMDHGXSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-6H,1H3,(H,13,14)/b8-6-.
What are the key properties of (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid?
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid has a molecular weight of 187.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 55255959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).