(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide

C10H6I2N2O2 — CID 54610321

IUPAC(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide
SMILESN#C/C(=C/c1cc(I)cc(I)c1O)C(N)=O
InChIInChI=1S/C10H6I2N2O2/c11-7-2-5(9(15)8(12)3-7)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1-
InChIKeyGBSHGOXFJKLHRU-BHQIHCQQSA-N
MW439.98 g/mol
LogP1.99
Rot. Bonds2

About (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide

(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide (PubChem CID 54610321) has the molecular formula C10H6I2N2O2 and a molecular weight of 439.98 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide
PubChem CID54610321
Molecular FormulaC10H6I2N2O2
Molecular Weight439.98 g/mol
Exact Mass439.85
IUPAC Name(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide
SMILESN#C/C(=C/c1cc(I)cc(I)c1O)C(N)=O
InChIInChI=1S/C10H6I2N2O2/c11-7-2-5(9(15)8(12)3-7)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1-
InChIKeyGBSHGOXFJKLHRU-BHQIHCQQSA-N
XLogP1.99
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.98
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 3112408
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 5383858
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
CID 122366406
(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide
CID 67015291
(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
CID 727729
(E)-2-benzoyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enenitrile
CID 21381872
2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 3068706
(Z)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 92968609
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
(E)-3-(2-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamide
CID 54784956
(E)-3-(5-bromo-2-hydroxy-3-iodophenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
CID 124534171

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide (CID 54610321) is (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide is N#C/C(=C/c1cc(I)cc(I)c1O)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide?
The InChIKey is GBSHGOXFJKLHRU-BHQIHCQQSA-N. The full InChI is InChI=1S/C10H6I2N2O2/c11-7-2-5(9(15)8(12)3-7)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1-.
What are the key properties of (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide?
(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide has a molecular weight of 439.98 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide is sourced from PubChem (CID 54610321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).