(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one

C16H18N4O4 — CID 177384143

IUPAC(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
SMILESCC(=O)C(/N=N/c1cccc(/N=N/C(C(C)=O)=C(/C)O)c1)=C(\C)O
InChIInChI=1S/C16H18N4O4/c1-9(21)15(10(2)22)19-17-13-6-5-7-14(8-13)18-20-16(11(3)23)12(4)24/h5-8,21,23H,1-4H3/b15-9-,16-11-,19-17+,20-18+
InChIKeyPYJOSIFZWFZYRO-WAEMDCFFSA-N
MW330.34 g/mol
LogP4.61
Rot. Bonds6

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

(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one (PubChem CID 177384143) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
PubChem CID177384143
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
SMILESCC(=O)C(/N=N/c1cccc(/N=N/C(C(C)=O)=C(/C)O)c1)=C(\C)O
InChIInChI=1S/C16H18N4O4/c1-9(21)15(10(2)22)19-17-13-6-5-7-14(8-13)18-20-16(11(3)23)12(4)24/h5-8,21,23H,1-4H3/b15-9-,16-11-,19-17+,20-18+
InChIKeyPYJOSIFZWFZYRO-WAEMDCFFSA-N
XLogP4.61
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
N-hydroxy-3-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]benzeneamine oxide
CID 163128119
3-[(2,6-dimethylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 136738719
3-[(4-acetylphenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135496450
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135411653
(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-4-hydroxypent-3-en-2-one
CID 135421502
(Z)-3-[[4-(dimethylamino)phenyl]diazenyl]-4-hydroxypent-3-en-2-one
CID 135671312
(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 135624061
ethyl (Z)-3-hydroxy-2-[(3-methylphenyl)diazenyl]but-2-enoate
CID 135473071
4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
CID 137220063
ethyl 3-hydroxy-2-[(3-nitrophenyl)diazenyl]but-2-enoate
CID 135525741

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one (CID 177384143) is (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one is CC(=O)C(/N=N/c1cccc(/N=N/C(C(C)=O)=C(/C)O)c1)=C(\C)O.
What is the InChIKey of (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one?
The InChIKey is PYJOSIFZWFZYRO-WAEMDCFFSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9(21)15(10(2)22)19-17-13-6-5-7-14(8-13)18-20-16(11(3)23)12(4)24/h5-8,21,23H,1-4H3/b15-9-,16-11-,19-17+,20-18+.
What are the key properties of (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one?
(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one has a molecular weight of 330.34 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one is sourced from PubChem (CID 177384143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).