oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium

C12H20NO4Re — CID 174712205

IUPACoxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=[Re](=O)(=O)[O-]
InChIInChI=1S/C12H20N.4O.Re/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;;;;;/q+1;;;;-1;
InChIKeyFNFDNIMEAQGNCM-UHFFFAOYSA-N
MW428.50 g/mol
LogP1.00
Rot. Bonds8

About oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium

oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium (PubChem CID 174712205) has the molecular formula C12H20NO4Re and a molecular weight of 428.50 g/mol. Its IUPAC name is oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Nameoxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
PubChem CID174712205
Molecular FormulaC12H20NO4Re
Molecular Weight428.50 g/mol
Exact Mass429.09
IUPAC Nameoxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=[Re](=O)(=O)[O-]
InChIInChI=1S/C12H20N.4O.Re/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;;;;;/q+1;;;;-1;
InChIKeyFNFDNIMEAQGNCM-UHFFFAOYSA-N
XLogP1.00
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 87913836
hydron;tetrakis(prop-2-enyl)azanium;hydrate
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CID 174931498
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CID 175142733
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
CID 174867425

Frequently Asked Questions

What is the IUPAC name of oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium?
The IUPAC name of oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium (CID 174712205) is oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.O=[Re](=O)(=O)[O-].
What is the InChIKey of oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium?
The InChIKey is FNFDNIMEAQGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.4O.Re/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-8H,1-4,9-12H2;;;;;/q+1;;;;-1;.
What are the key properties of oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium?
oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium has a molecular weight of 428.50 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 174712205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).