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

C12H21N2O2+ — CID 87243900

IUPACnitrous acid;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=NO
InChIInChI=1S/C12H20N.HNO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-8H,1-4,9-12H2;(H,2,3)/q+1;
InChIKeyFLXGHPDJBYGVJT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.69
Rot. Bonds8

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

nitrous acid;tetrakis(prop-2-enyl)azanium (PubChem CID 87243900) has the molecular formula C12H21N2O2+ and a molecular weight of 225.31 g/mol. Its IUPAC name is nitrous acid;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Namenitrous acid;tetrakis(prop-2-enyl)azanium
PubChem CID87243900
Molecular FormulaC12H21N2O2+
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Namenitrous acid;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=NO
InChIInChI=1S/C12H20N.HNO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-8H,1-4,9-12H2;(H,2,3)/q+1;
InChIKeyFLXGHPDJBYGVJT-UHFFFAOYSA-N
XLogP2.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 nitrous acid;tetrakis(prop-2-enyl)azanium?
The IUPAC name of nitrous acid;tetrakis(prop-2-enyl)azanium (CID 87243900) is nitrous acid;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for nitrous acid;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for nitrous acid;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.O=NO.
What is the InChIKey of nitrous acid;tetrakis(prop-2-enyl)azanium?
The InChIKey is FLXGHPDJBYGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.HNO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-8H,1-4,9-12H2;(H,2,3)/q+1;.
What are the key properties of nitrous acid;tetrakis(prop-2-enyl)azanium?
nitrous acid;tetrakis(prop-2-enyl)azanium has a molecular weight of 225.31 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 87243900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).