potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate

C11H8KNO3 — CID 19205389

IUPACpotassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C(\C#N)C(=O)[O-].[K+]
InChIInChI=1S/C11H9NO3.K/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+;
InChIKeyFUOBBPKXYOUPLO-MLBSPLJJSA-M
MW241.29 g/mol
LogP-2.64
Rot. Bonds3

About potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate

potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 19205389) has the molecular formula C11H8KNO3 and a molecular weight of 241.29 g/mol. Its IUPAC name is potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepotassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID19205389
Molecular FormulaC11H8KNO3
Molecular Weight241.29 g/mol
Exact Mass241.01
IUPAC Namepotassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C(\C#N)C(=O)[O-].[K+]
InChIInChI=1S/C11H9NO3.K/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+;
InChIKeyFUOBBPKXYOUPLO-MLBSPLJJSA-M
XLogP-2.64
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 6993290
2-cyano-3-(2-propoxyphenyl)prop-2-enoate
CID 3287238
(E)-2-cyano-3-[2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate
CID 42339134
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(2-chlorophenyl) (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 19175841
(E)-2-(azepane-1-carbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 19175799
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(E)-2-cyano-N-hexyl-3-(2-methoxyphenyl)prop-2-enamide
CID 6534011
(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
CID 19175698
3-(2-methoxyphenyl)-2-methylsulfonylprop-2-enenitrile
CID 54000449

Frequently Asked Questions

What is the IUPAC name of potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate (CID 19205389) is potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C(\C#N)C(=O)[O-].[K+].
What is the InChIKey of potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is FUOBBPKXYOUPLO-MLBSPLJJSA-M. The full InChI is InChI=1S/C11H9NO3.K/c1-15-10-5-3-2-4-8(10)6-9(7-12)11(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+;.
What are the key properties of potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate?
potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of -2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19205389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).