2-(nitromethylidene)-1,3-diazinane

C5H9N3O2 — CID 11789315

IUPAC2-(nitromethylidene)-1,3-diazinane
SMILESO=[N+]([O-])C=C1NCCCN1
InChIInChI=1S/C5H9N3O2/c9-8(10)4-5-6-2-1-3-7-5/h4,6-7H,1-3H2
InChIKeyGOBRRFQNYBGHAU-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.36
Rot. Bonds1

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

2-(nitromethylidene)-1,3-diazinane (PubChem CID 11789315) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-(nitromethylidene)-1,3-diazinane.

Molecular Properties

Compound Name2-(nitromethylidene)-1,3-diazinane
PubChem CID11789315
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-(nitromethylidene)-1,3-diazinane
SMILESO=[N+]([O-])C=C1NCCCN1
InChIInChI=1S/C5H9N3O2/c9-8(10)4-5-6-2-1-3-7-5/h4,6-7H,1-3H2
InChIKeyGOBRRFQNYBGHAU-UHFFFAOYSA-N
XLogP-0.36
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-(nitromethylidene)-1,3-diazinane?
The IUPAC name of 2-(nitromethylidene)-1,3-diazinane (CID 11789315) is 2-(nitromethylidene)-1,3-diazinane.
What is the SMILES notation for 2-(nitromethylidene)-1,3-diazinane?
The canonical SMILES for 2-(nitromethylidene)-1,3-diazinane is O=[N+]([O-])C=C1NCCCN1.
What is the InChIKey of 2-(nitromethylidene)-1,3-diazinane?
The InChIKey is GOBRRFQNYBGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c9-8(10)4-5-6-2-1-3-7-5/h4,6-7H,1-3H2.
What are the key properties of 2-(nitromethylidene)-1,3-diazinane?
2-(nitromethylidene)-1,3-diazinane has a molecular weight of 143.15 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nitromethylidene)-1,3-diazinane is sourced from PubChem (CID 11789315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).