nitric acid;tetrakis(prop-2-enyl)azanium

C12H21N2O3+ — CID 174433819

IUPACnitric acid;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=[N+]([O-])O
InChIInChI=1S/C12H20N.HNO3/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4/h5-8H,1-4,9-12H2;(H,2,3,4)/q+1;
InChIKeyXPMRZKJOZKHACN-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.20
Rot. Bonds8

About nitric acid;tetrakis(prop-2-enyl)azanium

nitric acid;tetrakis(prop-2-enyl)azanium (PubChem CID 174433819) has the molecular formula C12H21N2O3+ and a molecular weight of 241.31 g/mol. Its IUPAC name is nitric acid;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Namenitric acid;tetrakis(prop-2-enyl)azanium
PubChem CID174433819
Molecular FormulaC12H21N2O3+
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Namenitric acid;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=[N+]([O-])O
InChIInChI=1S/C12H20N.HNO3/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4/h5-8H,1-4,9-12H2;(H,2,3,4)/q+1;
InChIKeyXPMRZKJOZKHACN-UHFFFAOYSA-N
XLogP2.20
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitric acid;tetrakis(prop-2-enyl)azanium?
The IUPAC name of nitric acid;tetrakis(prop-2-enyl)azanium (CID 174433819) is nitric acid;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for nitric acid;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for nitric acid;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.O=[N+]([O-])O.
What is the InChIKey of nitric acid;tetrakis(prop-2-enyl)azanium?
The InChIKey is XPMRZKJOZKHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.HNO3/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4/h5-8H,1-4,9-12H2;(H,2,3,4)/q+1;.
What are the key properties of nitric acid;tetrakis(prop-2-enyl)azanium?
nitric acid;tetrakis(prop-2-enyl)azanium has a molecular weight of 241.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 174433819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).