2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol

C18H18N4O4 — CID 136723464

IUPAC2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol
SMILESC/C(=N\CC/N=C(\C)c1cc(N=O)ccc1O)c1cc(N=O)ccc1O
InChIInChI=1S/C18H18N4O4/c1-11(15-9-13(21-25)3-5-17(15)23)19-7-8-20-12(2)16-10-14(22-26)4-6-18(16)24/h3-6,9-10,23-24H,7-8H2,1-2H3/b19-11+,20-12+
InChIKeyLDXFGMKAVZQJCP-AYKLPDECSA-N
MW354.37 g/mol
LogP4.21
Rot. Bonds7

About 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol

2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol (PubChem CID 136723464) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol.

Molecular Properties

Compound Name2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol
PubChem CID136723464
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol
SMILESC/C(=N\CC/N=C(\C)c1cc(N=O)ccc1O)c1cc(N=O)ccc1O
InChIInChI=1S/C18H18N4O4/c1-11(15-9-13(21-25)3-5-17(15)23)19-7-8-20-12(2)16-10-14(22-26)4-6-18(16)24/h3-6,9-10,23-24H,7-8H2,1-2H3/b19-11+,20-12+
InChIKeyLDXFGMKAVZQJCP-AYKLPDECSA-N
XLogP4.21
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-nitrosobenzamide
CID 13376420
[4-hydroxy-3-[N-[2-[1-[2-hydroxy-5-[(trimethylazaniumyl)methyl]phenyl]ethylideneamino]ethyl]-C-methylcarbonimidoyl]phenyl]methyl-trimethylazanium
CID 136671804
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
CID 137181033
2-[N-[2-[2-[2-[1-(2,5-dihydroxyphenyl)ethylideneamino]ethoxy]ethoxy]ethyl]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136862719
2-bromo-4-nitrosophenol
CID 23270210
2-(methylamino)-4-nitrosophenol
CID 10130054
4-nitroso-2-pentylphenol
CID 88799968
2-hexyl-4-nitrosophenol
CID 139609706
2-[(E)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136980380
2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
2-methyl-5-nitrosobenzamide
CID 142265489
2-(2-methylpentyl)-4-nitrosophenol
CID 139609707

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol?
The IUPAC name of 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol (CID 136723464) is 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol.
What is the SMILES notation for 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol?
The canonical SMILES for 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol is C/C(=N\CC/N=C(\C)c1cc(N=O)ccc1O)c1cc(N=O)ccc1O.
What is the InChIKey of 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol?
The InChIKey is LDXFGMKAVZQJCP-AYKLPDECSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(15-9-13(21-25)3-5-17(15)23)19-7-8-20-12(2)16-10-14(22-26)4-6-18(16)24/h3-6,9-10,23-24H,7-8H2,1-2H3/b19-11+,20-12+.
What are the key properties of 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol?
2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol has a molecular weight of 354.37 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-[1-(2-hydroxy-5-nitrosophenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-nitrosophenol is sourced from PubChem (CID 136723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).