1-methoxy-2-(nitromethylidene)-1,3-diazinane

C6H11N3O3 — CID 67796370

IUPAC1-methoxy-2-(nitromethylidene)-1,3-diazinane
SMILESCON1CCCNC1=C[N+](=O)[O-]
InChIInChI=1S/C6H11N3O3/c1-12-8-4-2-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3
InChIKeyVCNQAWPQXQAGLA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.08
Rot. Bonds2

About 1-methoxy-2-(nitromethylidene)-1,3-diazinane

1-methoxy-2-(nitromethylidene)-1,3-diazinane (PubChem CID 67796370) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-methoxy-2-(nitromethylidene)-1,3-diazinane.

Molecular Properties

Compound Name1-methoxy-2-(nitromethylidene)-1,3-diazinane
PubChem CID67796370
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name1-methoxy-2-(nitromethylidene)-1,3-diazinane
SMILESCON1CCCNC1=C[N+](=O)[O-]
InChIInChI=1S/C6H11N3O3/c1-12-8-4-2-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3
InChIKeyVCNQAWPQXQAGLA-UHFFFAOYSA-N
XLogP-0.08
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-(nitromethylidene)-1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(nitromethylidene)-1,3-diazinane?
The IUPAC name of 1-methoxy-2-(nitromethylidene)-1,3-diazinane (CID 67796370) is 1-methoxy-2-(nitromethylidene)-1,3-diazinane.
What is the SMILES notation for 1-methoxy-2-(nitromethylidene)-1,3-diazinane?
The canonical SMILES for 1-methoxy-2-(nitromethylidene)-1,3-diazinane is CON1CCCNC1=C[N+](=O)[O-].
What is the InChIKey of 1-methoxy-2-(nitromethylidene)-1,3-diazinane?
The InChIKey is VCNQAWPQXQAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-12-8-4-2-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3.
What are the key properties of 1-methoxy-2-(nitromethylidene)-1,3-diazinane?
1-methoxy-2-(nitromethylidene)-1,3-diazinane has a molecular weight of 173.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(nitromethylidene)-1,3-diazinane is sourced from PubChem (CID 67796370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).