hydroperoxy (1E)-methanehydrazonate

CH4N2O3 — CID 58170408

IUPAChydroperoxy (1E)-methanehydrazonate
SMILESN/N=C/OOO
InChIInChI=1S/CH4N2O3/c2-3-1-5-6-4/h1,4H,2H2/b3-1+
InChIKeyRXCAPZXVTXCKGC-HNQUOIGGSA-N
MW92.05 g/mol
LogP-0.69
Rot. Bonds2

About hydroperoxy (1E)-methanehydrazonate

hydroperoxy (1E)-methanehydrazonate (PubChem CID 58170408) has the molecular formula CH4N2O3 and a molecular weight of 92.05 g/mol. Its IUPAC name is hydroperoxy (1E)-methanehydrazonate.

Molecular Properties

Compound Namehydroperoxy (1E)-methanehydrazonate
PubChem CID58170408
Molecular FormulaCH4N2O3
Molecular Weight92.05 g/mol
Exact Mass92.02
IUPAC Namehydroperoxy (1E)-methanehydrazonate
SMILESN/N=C/OOO
InChIInChI=1S/CH4N2O3/c2-3-1-5-6-4/h1,4H,2H2/b3-1+
InChIKeyRXCAPZXVTXCKGC-HNQUOIGGSA-N
XLogP-0.69
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.05
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethenyl methanehydrazonate
CID 123267851
prop-1-enyl methanehydrazonate
CID 123249427
2-methanehydrazonoyloxybenzoic acid
CID 70116086
2-hydroperoxyiminoacetamide
CID 141143472
3-methanehydrazonoylsulfanylprop-2-enoic acid
CID 70198948
(Z)-3-methanehydrazonoylsulfanylprop-2-enoic acid
CID 87426163
2-hydrazinylideneethyl propanoate
CID 174347476
ethyl 2-chloro-3-methanehydrazonoylsulfanylpropanoate
CID 71380386
CID 87914499
CID 87914499
N'-amino-N-hydroxymethanimidamide
CID 57065492
methyl N-carbamoylmethanimidate
CID 57288886
CID 158889848
CID 158889848

Frequently Asked Questions

What is the IUPAC name of hydroperoxy (1E)-methanehydrazonate?
The IUPAC name of hydroperoxy (1E)-methanehydrazonate (CID 58170408) is hydroperoxy (1E)-methanehydrazonate.
What is the SMILES notation for hydroperoxy (1E)-methanehydrazonate?
The canonical SMILES for hydroperoxy (1E)-methanehydrazonate is N/N=C/OOO.
What is the InChIKey of hydroperoxy (1E)-methanehydrazonate?
The InChIKey is RXCAPZXVTXCKGC-HNQUOIGGSA-N. The full InChI is InChI=1S/CH4N2O3/c2-3-1-5-6-4/h1,4H,2H2/b3-1+.
What are the key properties of hydroperoxy (1E)-methanehydrazonate?
hydroperoxy (1E)-methanehydrazonate has a molecular weight of 92.05 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy (1E)-methanehydrazonate is sourced from PubChem (CID 58170408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).