bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium

C12H24N2O3P+ — CID 171776006

IUPACbis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium
SMILESC=CC[NH2+]CC=C.C=CC[NH2+]CC=C.O=[P+]([O-])[O-]
InChIInChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H,1,2,3)/p+1
InChIKeyWZJQEVOBAGBJDK-UHFFFAOYSA-O
MW275.31 g/mol
LogP-1.79
Rot. Bonds8

About bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium

bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium (PubChem CID 171776006) has the molecular formula C12H24N2O3P+ and a molecular weight of 275.31 g/mol. Its IUPAC name is bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium.

Molecular Properties

Compound Namebis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium
PubChem CID171776006
Molecular FormulaC12H24N2O3P+
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Namebis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium
SMILESC=CC[NH2+]CC=C.C=CC[NH2+]CC=C.O=[P+]([O-])[O-]
InChIInChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H,1,2,3)/p+1
InChIKeyWZJQEVOBAGBJDK-UHFFFAOYSA-O
XLogP-1.79
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium?
The IUPAC name of bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium (CID 171776006) is bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium.
What is the SMILES notation for bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium?
The canonical SMILES for bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium is C=CC[NH2+]CC=C.C=CC[NH2+]CC=C.O=[P+]([O-])[O-].
What is the InChIKey of bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium?
The InChIKey is WZJQEVOBAGBJDK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H,1,2,3)/p+1.
What are the key properties of bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium?
bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium has a molecular weight of 275.31 g/mol, XLogP of -1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(prop-2-enyl)azanium);dioxido(oxo)phosphanium is sourced from PubChem (CID 171776006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).