nitrosomethanediol

CH3NO3 — CID 142787686

IUPACnitrosomethanediol
SMILESO=NC(O)O
InChIInChI=1S/CH3NO3/c3-1(4)2-5/h1,3-4H
InChIKeySKAXMOPDNYWHFC-UHFFFAOYSA-N
MW77.04 g/mol
LogP-0.98
Rot. Bonds1

About nitrosomethanediol

nitrosomethanediol (PubChem CID 142787686) has the molecular formula CH3NO3 and a molecular weight of 77.04 g/mol. Its IUPAC name is nitrosomethanediol.

Molecular Properties

Compound Namenitrosomethanediol
PubChem CID142787686
Molecular FormulaCH3NO3
Molecular Weight77.04 g/mol
Exact Mass77.01
IUPAC Namenitrosomethanediol
SMILESO=NC(O)O
InChIInChI=1S/CH3NO3/c3-1(4)2-5/h1,3-4H
InChIKeySKAXMOPDNYWHFC-UHFFFAOYSA-N
XLogP-0.98
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.04
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

S-methyl (2S)-2-hydroxy-2-nitrosoethanethioate
CID 137460967
(3S)-3-nitrosobutan-2-ol
CID 163745511
3-nitrosobutane-1,2,4-triol
CID 89185145
2-nitrosopentan-3-ol
CID 88945091
(1,6-dinitroso-6-phosphonohexyl)phosphonic acid
CID 57047107
(1,13-dinitroso-13-phosphonotridecyl)phosphonic acid
CID 57285640
CID 89217446
CID 89217446
sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate
CID 141437494
(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
CID 88961577
2,6-dinitrosooctane-1,3,4,5-tetrol
CID 122468077
CID 156592461
CID 156592461
nickel;nitrous acid
CID 173223682

Frequently Asked Questions

What is the IUPAC name of nitrosomethanediol?
The IUPAC name of nitrosomethanediol (CID 142787686) is nitrosomethanediol.
What is the SMILES notation for nitrosomethanediol?
The canonical SMILES for nitrosomethanediol is O=NC(O)O.
What is the InChIKey of nitrosomethanediol?
The InChIKey is SKAXMOPDNYWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO3/c3-1(4)2-5/h1,3-4H.
What are the key properties of nitrosomethanediol?
nitrosomethanediol has a molecular weight of 77.04 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosomethanediol is sourced from PubChem (CID 142787686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).