(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide

C6H12N4O4 — CID 135588828

IUPAC(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide
SMILESCOC(OC)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C6H12N4O4/c1-13-6(14-2)9-4-3-7-5(9)8-10(11)12/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyQULQEXJRAMYUQE-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.98
Rot. Bonds4

About (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide

(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide (PubChem CID 135588828) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide
PubChem CID135588828
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide
SMILESCOC(OC)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C6H12N4O4/c1-13-6(14-2)9-4-3-7-5(9)8-10(11)12/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyQULQEXJRAMYUQE-UHFFFAOYSA-N
XLogP-0.98
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide (CID 135588828) is (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide is COC(OC)N1CCN/C1=N/[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide?
The InChIKey is QULQEXJRAMYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4/c1-13-6(14-2)9-4-3-7-5(9)8-10(11)12/h6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide?
(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide has a molecular weight of 204.19 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 135588828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).