azane;ethene;nitric acid

C2H8N2O3 — CID 175531507

IUPACazane;ethene;nitric acid
SMILESC=C.N.O=[N+]([O-])O
InChIInChI=1S/C2H4.HNO3.H3N/c1-2;2-1(3)4;/h1-2H2;(H,2,3,4);1H3
InChIKeyDQINAWUFVPCBGT-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.62
Rot. Bonds

About azane;ethene;nitric acid

azane;ethene;nitric acid (PubChem CID 175531507) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is azane;ethene;nitric acid.

Molecular Properties

Compound Nameazane;ethene;nitric acid
PubChem CID175531507
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC Nameazane;ethene;nitric acid
SMILESC=C.N.O=[N+]([O-])O
InChIInChI=1S/C2H4.HNO3.H3N/c1-2;2-1(3)4;/h1-2H2;(H,2,3,4);1H3
InChIKeyDQINAWUFVPCBGT-UHFFFAOYSA-N
XLogP0.62
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;tetrakis(nitric acid)
CID 173388272
azane;decakis(nitric acid)
CID 173055393
azane;(nitric acid)
CID 173431766
azane;bis(nitric acid);palladium
CID 6368740
azane;nitric acid;hydrochloride
CID 173035617
azane;nitric acid;rhodium
CID 173316947
azane;cobalt;nitric acid
CID 173271865
CID 173051744
CID 173051744
azane;nitric acid;palladium
CID 173303143
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
azane;nitric acid;platinum;dihydrate
CID 173107458
CID 173119618
CID 173119618

Frequently Asked Questions

What is the IUPAC name of azane;ethene;nitric acid?
The IUPAC name of azane;ethene;nitric acid (CID 175531507) is azane;ethene;nitric acid.
What is the SMILES notation for azane;ethene;nitric acid?
The canonical SMILES for azane;ethene;nitric acid is C=C.N.O=[N+]([O-])O.
What is the InChIKey of azane;ethene;nitric acid?
The InChIKey is DQINAWUFVPCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.HNO3.H3N/c1-2;2-1(3)4;/h1-2H2;(H,2,3,4);1H3.
What are the key properties of azane;ethene;nitric acid?
azane;ethene;nitric acid has a molecular weight of 108.10 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethene;nitric acid is sourced from PubChem (CID 175531507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).