trimethyl(prop-2-enyl)azanium nitrite

C6H14N2O2 — CID 87073943

IUPACtrimethyl(prop-2-enyl)azanium nitrite
SMILESC=CC[N+](C)(C)C.O=N[O-]
InChIInChI=1S/C6H14N.HNO2/c1-5-6-7(2,3)4;2-1-3/h5H,1,6H2,2-4H3;(H,2,3)/q+1;/p-1
InChIKeyLCOVKTJAIJPQOG-UHFFFAOYSA-M
MW146.19 g/mol
LogP1.13
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium nitrite

trimethyl(prop-2-enyl)azanium nitrite (PubChem CID 87073943) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium nitrite.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium nitrite
PubChem CID87073943
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nametrimethyl(prop-2-enyl)azanium nitrite
SMILESC=CC[N+](C)(C)C.O=N[O-]
InChIInChI=1S/C6H14N.HNO2/c1-5-6-7(2,3)4;2-1-3/h5H,1,6H2,2-4H3;(H,2,3)/q+1;/p-1
InChIKeyLCOVKTJAIJPQOG-UHFFFAOYSA-M
XLogP1.13
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)azanium nitrite?
The IUPAC name of trimethyl(prop-2-enyl)azanium nitrite (CID 87073943) is trimethyl(prop-2-enyl)azanium nitrite.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium nitrite?
The canonical SMILES for trimethyl(prop-2-enyl)azanium nitrite is C=CC[N+](C)(C)C.O=N[O-].
What is the InChIKey of trimethyl(prop-2-enyl)azanium nitrite?
The InChIKey is LCOVKTJAIJPQOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.HNO2/c1-5-6-7(2,3)4;2-1-3/h5H,1,6H2,2-4H3;(H,2,3)/q+1;/p-1.
What are the key properties of trimethyl(prop-2-enyl)azanium nitrite?
trimethyl(prop-2-enyl)azanium nitrite has a molecular weight of 146.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium nitrite is sourced from PubChem (CID 87073943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).