N-(dimethylamino)-N-oxidonitrous amide

C2H6N3O2- — CID 10654235

IUPACN-(dimethylamino)-N-oxidonitrous amide
SMILESCN(C)N([O-])N=O
InChIInChI=1S/C2H6N3O2/c1-4(2)5(7)3-6/h1-2H3/q-1
InChIKeySEGZHNMOBUIXAN-UHFFFAOYSA-N
MW104.09 g/mol
LogP-0.06
Rot. Bonds2

About N-(dimethylamino)-N-oxidonitrous amide

N-(dimethylamino)-N-oxidonitrous amide (PubChem CID 10654235) has the molecular formula C2H6N3O2- and a molecular weight of 104.09 g/mol. Its IUPAC name is N-(dimethylamino)-N-oxidonitrous amide.

Molecular Properties

Compound NameN-(dimethylamino)-N-oxidonitrous amide
PubChem CID10654235
Molecular FormulaC2H6N3O2-
Molecular Weight104.09 g/mol
Exact Mass104.05
IUPAC NameN-(dimethylamino)-N-oxidonitrous amide
SMILESCN(C)N([O-])N=O
InChIInChI=1S/C2H6N3O2/c1-4(2)5(7)3-6/h1-2H3/q-1
InChIKeySEGZHNMOBUIXAN-UHFFFAOYSA-N
XLogP-0.06
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.09
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylamino)-N-oxidonitrous amide?
The IUPAC name of N-(dimethylamino)-N-oxidonitrous amide (CID 10654235) is N-(dimethylamino)-N-oxidonitrous amide.
What is the SMILES notation for N-(dimethylamino)-N-oxidonitrous amide?
The canonical SMILES for N-(dimethylamino)-N-oxidonitrous amide is CN(C)N([O-])N=O.
What is the InChIKey of N-(dimethylamino)-N-oxidonitrous amide?
The InChIKey is SEGZHNMOBUIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N3O2/c1-4(2)5(7)3-6/h1-2H3/q-1.
What are the key properties of N-(dimethylamino)-N-oxidonitrous amide?
N-(dimethylamino)-N-oxidonitrous amide has a molecular weight of 104.09 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylamino)-N-oxidonitrous amide is sourced from PubChem (CID 10654235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).