dimethylcarbamoylimino-methyl-oxidoazanium

C4H9N3O2 — CID 86234902

IUPACdimethylcarbamoylimino-methyl-oxidoazanium
SMILESCN(C)C(=O)N=[N+](C)[O-]
InChIInChI=1S/C4H9N3O2/c1-6(2)4(8)5-7(3)9/h1-3H3
InChIKeyHQAXXRWVFPWZIL-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.26
Rot. Bonds

About dimethylcarbamoylimino-methyl-oxidoazanium

dimethylcarbamoylimino-methyl-oxidoazanium (PubChem CID 86234902) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is dimethylcarbamoylimino-methyl-oxidoazanium.

Molecular Properties

Compound Namedimethylcarbamoylimino-methyl-oxidoazanium
PubChem CID86234902
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Namedimethylcarbamoylimino-methyl-oxidoazanium
SMILESCN(C)C(=O)N=[N+](C)[O-]
InChIInChI=1S/C4H9N3O2/c1-6(2)4(8)5-7(3)9/h1-3H3
InChIKeyHQAXXRWVFPWZIL-UHFFFAOYSA-N
XLogP0.26
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoylimino-methyl-oxidoazanium?
The IUPAC name of dimethylcarbamoylimino-methyl-oxidoazanium (CID 86234902) is dimethylcarbamoylimino-methyl-oxidoazanium.
What is the SMILES notation for dimethylcarbamoylimino-methyl-oxidoazanium?
The canonical SMILES for dimethylcarbamoylimino-methyl-oxidoazanium is CN(C)C(=O)N=[N+](C)[O-].
What is the InChIKey of dimethylcarbamoylimino-methyl-oxidoazanium?
The InChIKey is HQAXXRWVFPWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-6(2)4(8)5-7(3)9/h1-3H3.
What are the key properties of dimethylcarbamoylimino-methyl-oxidoazanium?
dimethylcarbamoylimino-methyl-oxidoazanium has a molecular weight of 131.13 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoylimino-methyl-oxidoazanium is sourced from PubChem (CID 86234902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).