N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide

C4H10N4O5 — CID 71340200

IUPACN-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide
SMILESCOC(N(C)[N+](=O)[O-])N(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N4O5/c1-5(7(9)10)4(13-3)6(2)8(11)12/h4H,1-3H3
InChIKeyOSUPKOPTTZGDHT-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.84
Rot. Bonds5

About N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide

N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide (PubChem CID 71340200) has the molecular formula C4H10N4O5 and a molecular weight of 194.15 g/mol. Its IUPAC name is N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide.

Molecular Properties

Compound NameN-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide
PubChem CID71340200
Molecular FormulaC4H10N4O5
Molecular Weight194.15 g/mol
Exact Mass194.07
IUPAC NameN-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide
SMILESCOC(N(C)[N+](=O)[O-])N(C)[N+](=O)[O-]
InChIInChI=1S/C4H10N4O5/c1-5(7(9)10)4(13-3)6(2)8(11)12/h4H,1-3H3
InChIKeyOSUPKOPTTZGDHT-UHFFFAOYSA-N
XLogP-0.84
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide?
The IUPAC name of N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide (CID 71340200) is N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide.
What is the SMILES notation for N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide?
The canonical SMILES for N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide is COC(N(C)[N+](=O)[O-])N(C)[N+](=O)[O-].
What is the InChIKey of N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide?
The InChIKey is OSUPKOPTTZGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O5/c1-5(7(9)10)4(13-3)6(2)8(11)12/h4H,1-3H3.
What are the key properties of N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide?
N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide has a molecular weight of 194.15 g/mol, XLogP of -0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy-[methyl(nitro)amino]methyl]-N-methylnitramide is sourced from PubChem (CID 71340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).