2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium

C7H8N2O4PV+ — CID 157095936

IUPAC2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium
SMILESCCN1C(=O)[P+]2(C(=O)N(C)C2=O)C1=O.[V]
InChIInChI=1S/C7H8N2O4P.V/c1-3-9-6(12)14(7(9)13)4(10)8(2)5(14)11;/h3H2,1-2H3;/q+1;
InChIKeyVWOFCLOHDYPPSW-UHFFFAOYSA-N
MW266.07 g/mol
LogP1.76
Rot. Bonds1

About 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium

2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium (PubChem CID 157095936) has the molecular formula C7H8N2O4PV+ and a molecular weight of 266.07 g/mol. Its IUPAC name is 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium.

Molecular Properties

Compound Name2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium
PubChem CID157095936
Molecular FormulaC7H8N2O4PV+
Molecular Weight266.07 g/mol
Exact Mass265.97
IUPAC Name2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium
SMILESCCN1C(=O)[P+]2(C(=O)N(C)C2=O)C1=O.[V]
InChIInChI=1S/C7H8N2O4P.V/c1-3-9-6(12)14(7(9)13)4(10)8(2)5(14)11;/h3H2,1-2H3;/q+1;
InChIKeyVWOFCLOHDYPPSW-UHFFFAOYSA-N
XLogP1.76
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium?
The IUPAC name of 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium (CID 157095936) is 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium.
What is the SMILES notation for 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium?
The canonical SMILES for 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium is CCN1C(=O)[P+]2(C(=O)N(C)C2=O)C1=O.[V].
What is the InChIKey of 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium?
The InChIKey is VWOFCLOHDYPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4P.V/c1-3-9-6(12)14(7(9)13)4(10)8(2)5(14)11;/h3H2,1-2H3;/q+1;.
What are the key properties of 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium?
2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium has a molecular weight of 266.07 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium is sourced from PubChem (CID 157095936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).