tetrakis(prop-2-enyl)azanium nitrite

C12H20N2O2 — CID 87500293

IUPACtetrakis(prop-2-enyl)azanium nitrite
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=N[O-]
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;/p-1
InChIKeyFLXGHPDJBYGVJT-UHFFFAOYSA-M
MW224.30 g/mol
LogP2.80
Rot. Bonds8

About tetrakis(prop-2-enyl)azanium nitrite

tetrakis(prop-2-enyl)azanium nitrite (PubChem CID 87500293) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)azanium nitrite.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)azanium nitrite
PubChem CID87500293
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nametetrakis(prop-2-enyl)azanium nitrite
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=N[O-]
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;/p-1
InChIKeyFLXGHPDJBYGVJT-UHFFFAOYSA-M
XLogP2.80
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(prop-2-enyl)nitramide
CID 87928806
Dimethyl-bis(prop-2-enyl)azanium nitrate
CID 19988438
Tetrakis(prop-2-enyl)azanium nitrate
CID 85534536
Trimethyl(prop-2-enyl)azanium nitrite
CID 87073943
Nitrous acid;tetrakis(prop-2-enyl)azanium
CID 87243900
Trimethyl(prop-2-enyl)azanium nitrate
CID 87300759
Methyl-tris(prop-2-enyl)azanium nitrate
CID 156298744
N,N-dimethylprop-2-en-1-amine;nitric acid
CID 156298790
N-ethyl-N-prop-2-enylprop-2-en-1-amine;nitric acid
CID 173177498
N,N-bis(prop-2-enyl)propan-1-amine;nitric acid
CID 173177521
Nitric acid;tetrakis(prop-2-enyl)azanium
CID 174433819
Dimethyl-bis(prop-2-enyl)azanium;nitric acid
CID 174559362

Frequently Asked Questions

What is the IUPAC name of tetrakis(prop-2-enyl)azanium nitrite?
The IUPAC name of tetrakis(prop-2-enyl)azanium nitrite (CID 87500293) is tetrakis(prop-2-enyl)azanium nitrite.
What is the SMILES notation for tetrakis(prop-2-enyl)azanium nitrite?
The canonical SMILES for tetrakis(prop-2-enyl)azanium nitrite is C=CC[N+](CC=C)(CC=C)CC=C.O=N[O-].
What is the InChIKey of tetrakis(prop-2-enyl)azanium nitrite?
The InChIKey is FLXGHPDJBYGVJT-UHFFFAOYSA-M. 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;/p-1.
What are the key properties of tetrakis(prop-2-enyl)azanium nitrite?
tetrakis(prop-2-enyl)azanium nitrite has a molecular weight of 224.30 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)azanium nitrite is sourced from PubChem (CID 87500293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).