(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide

C11H5N5O4 — CID 138392055

IUPAC(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
SMILESN#CC(=O)C(/N=N/c1ccccc1[N+](=O)[O-])=C(/O)C#N
InChIInChI=1S/C11H5N5O4/c12-5-9(17)11(10(18)6-13)15-14-7-3-1-2-4-8(7)16(19)20/h1-4,17H/b11-9-,15-14+
InChIKeyMPFQGEPGQXGHHJ-DVRQTUGZSA-N
MW271.19 g/mol
LogP2.06
Rot. Bonds4

About (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide

(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide (PubChem CID 138392055) has the molecular formula C11H5N5O4 and a molecular weight of 271.19 g/mol. Its IUPAC name is (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide.

Molecular Properties

Compound Name(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
PubChem CID138392055
Molecular FormulaC11H5N5O4
Molecular Weight271.19 g/mol
Exact Mass271.03
IUPAC Name(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
SMILESN#CC(=O)C(/N=N/c1ccccc1[N+](=O)[O-])=C(/O)C#N
InChIInChI=1S/C11H5N5O4/c12-5-9(17)11(10(18)6-13)15-14-7-3-1-2-4-8(7)16(19)20/h1-4,17H/b11-9-,15-14+
InChIKeyMPFQGEPGQXGHHJ-DVRQTUGZSA-N
XLogP2.06
TPSA152.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
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': 'acyl_cyanide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-[(2-nitrophenyl)diazenyl]-3-phenylprop-2-enoate
CID 135527429
(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
CID 135996780
chloro-(2-nitrophenyl)diazene
CID 13403227
ethyl (Z)-4-chloro-3-hydroxy-2-[(2-nitrophenyl)diazenyl]but-2-enoate
CID 135421179
ethyl 4-chloro-3-hydroxy-2-[(2-nitrophenyl)diazenyl]but-2-enoate
CID 135492823
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
benzene;2-nitrobenzoic acid
CID 19891435
ethyl (Z)-2-[(2-bromophenyl)diazenyl]-3-cyano-3-hydroxyprop-2-enoate
CID 138392027
(2-nitrophenyl)methanetricarboxylic acid
CID 140983410
acetonitrile;1,2-dinitrobenzene
CID 174895848
cyano 2-nitrobenzoate
CID 154624336
methyl (E)-2-[(2,4-dinitrophenyl)diazenyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135404772

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide?
The IUPAC name of (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide (CID 138392055) is (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide.
What is the SMILES notation for (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide?
The canonical SMILES for (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide is N#CC(=O)C(/N=N/c1ccccc1[N+](=O)[O-])=C(/O)C#N.
What is the InChIKey of (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide?
The InChIKey is MPFQGEPGQXGHHJ-DVRQTUGZSA-N. The full InChI is InChI=1S/C11H5N5O4/c12-5-9(17)11(10(18)6-13)15-14-7-3-1-2-4-8(7)16(19)20/h1-4,17H/b11-9-,15-14+.
What are the key properties of (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide?
(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide has a molecular weight of 271.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide is sourced from PubChem (CID 138392055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).