[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid

C11H13AsN2O5 — CID 137183643

IUPAC[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid
SMILESCC(=O)C(/N=N/c1ccccc1[As](=O)(O)O)=C(\C)O
InChIInChI=1S/C11H13AsN2O5/c1-7(15)11(8(2)16)14-13-10-6-4-3-5-9(10)12(17,18)19/h3-6,15H,1-2H3,(H2,17,18,19)/b11-7-,14-13+
InChIKeyYEHWKWLZUTWBSV-UKCOVKCYSA-N
MW328.16 g/mol
LogP0.71
Rot. Bonds4

About [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid

[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid (PubChem CID 137183643) has the molecular formula C11H13AsN2O5 and a molecular weight of 328.16 g/mol. Its IUPAC name is [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid.

Molecular Properties

Compound Name[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid
PubChem CID137183643
Molecular FormulaC11H13AsN2O5
Molecular Weight328.16 g/mol
Exact Mass328.00
IUPAC Name[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid
SMILESCC(=O)C(/N=N/c1ccccc1[As](=O)(O)O)=C(\C)O
InChIInChI=1S/C11H13AsN2O5/c1-7(15)11(8(2)16)14-13-10-6-4-3-5-9(10)12(17,18)19/h3-6,15H,1-2H3,(H2,17,18,19)/b11-7-,14-13+
InChIKeyYEHWKWLZUTWBSV-UKCOVKCYSA-N
XLogP0.71
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-3-[(2-methylsulfanylphenyl)diazenyl]pent-3-en-2-one
CID 137079358
(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
CID 177384143
3-[(2,6-dimethylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 136738719
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135411653
methyl 2-[(2-fluorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 171145460
3-hydroxy-4-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]benzoic acid
CID 177428286
3-[(4-acetylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135496450
(E)-3-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 177489426
methyl 2-[[(Z)-3-hydroxy-1-methoxy-1-oxobut-2-en-2-yl]diazenyl]benzoate
CID 135515620
(Z)-3-[(3-chlorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135868221
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
3-[(5-chloro-2-methoxyphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 137235165

Frequently Asked Questions

What is the IUPAC name of [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid?
The IUPAC name of [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid (CID 137183643) is [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid.
What is the SMILES notation for [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid?
The canonical SMILES for [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid is CC(=O)C(/N=N/c1ccccc1[As](=O)(O)O)=C(\C)O.
What is the InChIKey of [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid?
The InChIKey is YEHWKWLZUTWBSV-UKCOVKCYSA-N. The full InChI is InChI=1S/C11H13AsN2O5/c1-7(15)11(8(2)16)14-13-10-6-4-3-5-9(10)12(17,18)19/h3-6,15H,1-2H3,(H2,17,18,19)/b11-7-,14-13+.
What are the key properties of [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid?
[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid has a molecular weight of 328.16 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid is sourced from PubChem (CID 137183643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).