(Z)-hydroxymethylimino-methyl-oxidoazanium

C2H6N2O2 — CID 6433205

IUPAC(Z)-hydroxymethylimino-methyl-oxidoazanium
SMILESC/[N+]([O-])=N/CO
InChIInChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-
InChIKeyBJNBRIBHKLJMAG-ARJAWSKDSA-N
MW90.08 g/mol
LogP-0.47
Rot. Bonds1

About (Z)-hydroxymethylimino-methyl-oxidoazanium

(Z)-hydroxymethylimino-methyl-oxidoazanium (PubChem CID 6433205) has the molecular formula C2H6N2O2 and a molecular weight of 90.08 g/mol. Its IUPAC name is (Z)-hydroxymethylimino-methyl-oxidoazanium.

Molecular Properties

Compound Name(Z)-hydroxymethylimino-methyl-oxidoazanium
PubChem CID6433205
Molecular FormulaC2H6N2O2
Molecular Weight90.08 g/mol
Exact Mass90.04
IUPAC Name(Z)-hydroxymethylimino-methyl-oxidoazanium
SMILESC/[N+]([O-])=N/CO
InChIInChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-
InChIKeyBJNBRIBHKLJMAG-ARJAWSKDSA-N
XLogP-0.47
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium
CID 175427348
acetyloxymethylimino-methyl-oxidoazanium
CID 11606
sodium (Z)-methyl-oxido-oxidoiminoazanium
CID 172966410
azanium;ethanol;nitrate
CID 172727764
(Z)-diethylcarbamoylimino-methyl-oxidoazanium
CID 177428023
CID 136618121
CID 136618121
2-hydroxyethylimino-(methoxyamino)-oxidoazanium
CID 133053660
dimethylcarbamoylimino-methyl-oxidoazanium
CID 86234902
2-bromo-1-nitropropane-1,3-diol
CID 22119338
acetic acid;benzene;ethane;ethanol;nitromethane
CID 160606916
(Z)-2-iodoethoxyimino-methyl-oxidoazanium
CID 28693830
cadmium(2+);ethanol;dichloride
CID 158788314

Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxymethylimino-methyl-oxidoazanium?
The IUPAC name of (Z)-hydroxymethylimino-methyl-oxidoazanium (CID 6433205) is (Z)-hydroxymethylimino-methyl-oxidoazanium.
What is the SMILES notation for (Z)-hydroxymethylimino-methyl-oxidoazanium?
The canonical SMILES for (Z)-hydroxymethylimino-methyl-oxidoazanium is C/[N+]([O-])=N/CO.
What is the InChIKey of (Z)-hydroxymethylimino-methyl-oxidoazanium?
The InChIKey is BJNBRIBHKLJMAG-ARJAWSKDSA-N. The full InChI is InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-.
What are the key properties of (Z)-hydroxymethylimino-methyl-oxidoazanium?
(Z)-hydroxymethylimino-methyl-oxidoazanium has a molecular weight of 90.08 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxymethylimino-methyl-oxidoazanium is sourced from PubChem (CID 6433205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).