N-isocyano-1,1-dimethoxymethanimine

C4H6N2O2 — CID 20735859

IUPACN-isocyano-1,1-dimethoxymethanimine
SMILES[C-]#[N+]N=C(OC)OC
InChIInChI=1S/C4H6N2O2/c1-5-6-4(7-2)8-3/h2-3H3
InChIKeyPWTGCLBLDDQBJL-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.47
Rot. Bonds

About N-isocyano-1,1-dimethoxymethanimine

N-isocyano-1,1-dimethoxymethanimine (PubChem CID 20735859) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-isocyano-1,1-dimethoxymethanimine.

Molecular Properties

Compound NameN-isocyano-1,1-dimethoxymethanimine
PubChem CID20735859
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-isocyano-1,1-dimethoxymethanimine
SMILES[C-]#[N+]N=C(OC)OC
InChIInChI=1S/C4H6N2O2/c1-5-6-4(7-2)8-3/h2-3H3
InChIKeyPWTGCLBLDDQBJL-UHFFFAOYSA-N
XLogP0.47
TPSA35.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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

bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane
CID 157055029
1,1-diisocyano-2,2-dimethoxyethene
CID 59633746
dimethoxy(sulfamoylimino)methane
CID 134892030
N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine
CID 27001632
carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene
CID 134986566
methyl 2-isocyano-3-methylbut-2-enoate
CID 20667187
N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
CID 154981836
methyl 3,5-dibromo-4-isocyanobenzoate
CID 139088496
methyl (Z)-3-chloro-2-isocyanoprop-2-enoate
CID 11550034
(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one
CID 129091703
N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine
CID 91227344
ethyl N-(dimethoxymethylideneamino)carbamate
CID 151130925

Frequently Asked Questions

What is the IUPAC name of N-isocyano-1,1-dimethoxymethanimine?
The IUPAC name of N-isocyano-1,1-dimethoxymethanimine (CID 20735859) is N-isocyano-1,1-dimethoxymethanimine.
What is the SMILES notation for N-isocyano-1,1-dimethoxymethanimine?
The canonical SMILES for N-isocyano-1,1-dimethoxymethanimine is [C-]#[N+]N=C(OC)OC.
What is the InChIKey of N-isocyano-1,1-dimethoxymethanimine?
The InChIKey is PWTGCLBLDDQBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-5-6-4(7-2)8-3/h2-3H3.
What are the key properties of N-isocyano-1,1-dimethoxymethanimine?
N-isocyano-1,1-dimethoxymethanimine has a molecular weight of 114.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isocyano-1,1-dimethoxymethanimine is sourced from PubChem (CID 20735859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).