nitric acid;prop-2-enenitrile

C3H4N2O3 — CID 157263190

IUPACnitric acid;prop-2-enenitrile
SMILESC=CC#N.O=[N+]([O-])O
InChIInChI=1S/C3H3N.HNO3/c1-2-3-4;2-1(3)4/h2H,1H2;(H,2,3,4)
InChIKeyAXRWFVLHONGHPJ-UHFFFAOYSA-N
MW116.08 g/mol
LogP0.35
Rot. Bonds

About nitric acid;prop-2-enenitrile

nitric acid;prop-2-enenitrile (PubChem CID 157263190) has the molecular formula C3H4N2O3 and a molecular weight of 116.08 g/mol. Its IUPAC name is nitric acid;prop-2-enenitrile.

Molecular Properties

Compound Namenitric acid;prop-2-enenitrile
PubChem CID157263190
Molecular FormulaC3H4N2O3
Molecular Weight116.08 g/mol
Exact Mass116.02
IUPAC Namenitric acid;prop-2-enenitrile
SMILESC=CC#N.O=[N+]([O-])O
InChIInChI=1S/C3H3N.HNO3/c1-2-3-4;2-1(3)4/h2H,1H2;(H,2,3,4)
InChIKeyAXRWFVLHONGHPJ-UHFFFAOYSA-N
XLogP0.35
TPSA87.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.08
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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

aluminum;prop-2-enenitrile;trinitrate
CID 174932506
silver;prop-2-enenitrile;nitrate
CID 161335917
tris(nitric acid);scandium;tetrahydrate
CID 131874908
prop-2-enenitrile;dihydrate
CID 175150408
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
methanol;prop-2-enenitrile
CID 19700097
tris(nitric acid);ytterbium;pentahydrate
CID 131852866
cadmium;bis(nitric acid);tetrahydrate
CID 22836330
CID 163776931
CID 163776931
CID 159057552
CID 159057552
bis(nitric acid);palladium(2+);hydrate
CID 169410102

Frequently Asked Questions

What is the IUPAC name of nitric acid;prop-2-enenitrile?
The IUPAC name of nitric acid;prop-2-enenitrile (CID 157263190) is nitric acid;prop-2-enenitrile.
What is the SMILES notation for nitric acid;prop-2-enenitrile?
The canonical SMILES for nitric acid;prop-2-enenitrile is C=CC#N.O=[N+]([O-])O.
What is the InChIKey of nitric acid;prop-2-enenitrile?
The InChIKey is AXRWFVLHONGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.HNO3/c1-2-3-4;2-1(3)4/h2H,1H2;(H,2,3,4).
What are the key properties of nitric acid;prop-2-enenitrile?
nitric acid;prop-2-enenitrile has a molecular weight of 116.08 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;prop-2-enenitrile is sourced from PubChem (CID 157263190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).