dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine

C10H16N5O4+ — CID 135788875

IUPACdihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1ccc(O)cc1.O=[N+](O)O
InChIInChI=1S/C10H14N4O.H2NO3/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7;2-1(3)4/h3-6,15H,2H2,1H3,(H4,11,12,14);(H2,2,3,4)/q;+1/b13-9+;
InChIKeyZWOAMFQINLBEJZ-KJEVSKRMSA-N
MW270.27 g/mol
LogP0.32
Rot. Bonds3

About dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine

dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine (PubChem CID 135788875) has the molecular formula C10H16N5O4+ and a molecular weight of 270.27 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine
PubChem CID135788875
Molecular FormulaC10H16N5O4+
Molecular Weight270.27 g/mol
Exact Mass270.12
IUPAC Namedihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1ccc(O)cc1.O=[N+](O)O
InChIInChI=1S/C10H14N4O.H2NO3/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7;2-1(3)4/h3-6,15H,2H2,1H3,(H4,11,12,14);(H2,2,3,4)/q;+1/b13-9+;
InChIKeyZWOAMFQINLBEJZ-KJEVSKRMSA-N
XLogP0.32
TPSA157.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 3526910
nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
CID 45049782
2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
CID 135534479
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
2-[1-(3-chlorophenyl)propylideneamino]guanidine
CID 76872531
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
2-[(E)-1-(1H-pyrazol-4-yl)propylideneamino]guanidine
CID 137266602
2-(1-phenylbutylideneamino)guanidine
CID 76872532
1-[4-[(E)-N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]urea
CID 25129354
1,3-bis[4-[N-(diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]urea
CID 74389794

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine (CID 135788875) is dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine is CC/C(=N\N=C(N)N)c1ccc(O)cc1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine?
The InChIKey is ZWOAMFQINLBEJZ-KJEVSKRMSA-N. The full InChI is InChI=1S/C10H14N4O.H2NO3/c1-2-9(13-14-10(11)12)7-3-5-8(15)6-4-7;2-1(3)4/h3-6,15H,2H2,1H3,(H4,11,12,14);(H2,2,3,4)/q;+1/b13-9+;.
What are the key properties of dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine?
dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine has a molecular weight of 270.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-[(E)-1-(4-hydroxyphenyl)propylideneamino]guanidine is sourced from PubChem (CID 135788875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).