methyl N'-nitrosocarbamimidate

C2H5N3O2 — CID 11105323

IUPACmethyl N'-nitrosocarbamimidate
SMILESCO/C(N)=N/N=O
InChIInChI=1S/C2H5N3O2/c1-7-2(3)4-5-6/h1H3,(H2,3,4,6)
InChIKeyWIYGNZACAVXNFU-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.37
Rot. Bonds1

About methyl N'-nitrosocarbamimidate

methyl N'-nitrosocarbamimidate (PubChem CID 11105323) has the molecular formula C2H5N3O2 and a molecular weight of 103.08 g/mol. Its IUPAC name is methyl N'-nitrosocarbamimidate.

Molecular Properties

Compound Namemethyl N'-nitrosocarbamimidate
PubChem CID11105323
Molecular FormulaC2H5N3O2
Molecular Weight103.08 g/mol
Exact Mass103.04
IUPAC Namemethyl N'-nitrosocarbamimidate
SMILESCO/C(N)=N/N=O
InChIInChI=1S/C2H5N3O2/c1-7-2(3)4-5-6/h1H3,(H2,3,4,6)
InChIKeyWIYGNZACAVXNFU-UHFFFAOYSA-N
XLogP-0.37
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N'-diazenylcarbamimidate
CID 135626895
methyl N'-cyanocarbamimidate
CID 15646036
methyl N'-tert-butylcarbamimidate
CID 13222079
methyl N'-(dimethylsulfamoyl)carbamimidate
CID 23228574
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
methyl N'-(methylsulfanylcarbamoyl)carbamimidate
CID 21442387
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
methyl N'-(2-methoxyethylcarbamoyl)carbamimidate
CID 21442162
1-nitro-2-nitrosoguanidine
CID 57478244
methyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 162589776
methyl acetate;nitrous acid
CID 174825102

Frequently Asked Questions

What is the IUPAC name of methyl N'-nitrosocarbamimidate?
The IUPAC name of methyl N'-nitrosocarbamimidate (CID 11105323) is methyl N'-nitrosocarbamimidate.
What is the SMILES notation for methyl N'-nitrosocarbamimidate?
The canonical SMILES for methyl N'-nitrosocarbamimidate is CO/C(N)=N/N=O.
What is the InChIKey of methyl N'-nitrosocarbamimidate?
The InChIKey is WIYGNZACAVXNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2/c1-7-2(3)4-5-6/h1H3,(H2,3,4,6).
What are the key properties of methyl N'-nitrosocarbamimidate?
methyl N'-nitrosocarbamimidate has a molecular weight of 103.08 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-nitrosocarbamimidate is sourced from PubChem (CID 11105323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).