1-aminoprop-2-enyl nitrate;nitric acid

C3H7N3O6 — CID 173387349

IUPAC1-aminoprop-2-enyl nitrate;nitric acid
SMILESC=CC(N)O[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H6N2O3.HNO3/c1-2-3(4)8-5(6)7;2-1(3)4/h2-3H,1,4H2;(H,2,3,4)
InChIKeyWJCZGFSBZPGONY-UHFFFAOYSA-N
MW181.10 g/mol
LogP-0.68
Rot. Bonds3

About 1-aminoprop-2-enyl nitrate;nitric acid

1-aminoprop-2-enyl nitrate;nitric acid (PubChem CID 173387349) has the molecular formula C3H7N3O6 and a molecular weight of 181.10 g/mol. Its IUPAC name is 1-aminoprop-2-enyl nitrate;nitric acid.

Molecular Properties

Compound Name1-aminoprop-2-enyl nitrate;nitric acid
PubChem CID173387349
Molecular FormulaC3H7N3O6
Molecular Weight181.10 g/mol
Exact Mass181.03
IUPAC Name1-aminoprop-2-enyl nitrate;nitric acid
SMILESC=CC(N)O[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H6N2O3.HNO3/c1-2-3(4)8-5(6)7;2-1(3)4/h2-3H,1,4H2;(H,2,3,4)
InChIKeyWJCZGFSBZPGONY-UHFFFAOYSA-N
XLogP-0.68
TPSA141.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.10
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

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CID 173018650
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Frequently Asked Questions

What is the IUPAC name of 1-aminoprop-2-enyl nitrate;nitric acid?
The IUPAC name of 1-aminoprop-2-enyl nitrate;nitric acid (CID 173387349) is 1-aminoprop-2-enyl nitrate;nitric acid.
What is the SMILES notation for 1-aminoprop-2-enyl nitrate;nitric acid?
The canonical SMILES for 1-aminoprop-2-enyl nitrate;nitric acid is C=CC(N)O[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of 1-aminoprop-2-enyl nitrate;nitric acid?
The InChIKey is WJCZGFSBZPGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3.HNO3/c1-2-3(4)8-5(6)7;2-1(3)4/h2-3H,1,4H2;(H,2,3,4).
What are the key properties of 1-aminoprop-2-enyl nitrate;nitric acid?
1-aminoprop-2-enyl nitrate;nitric acid has a molecular weight of 181.10 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enyl nitrate;nitric acid is sourced from PubChem (CID 173387349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).