2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one

C8H15N2O3P — CID 12530625

IUPAC2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one
SMILESCCOP1(=O)N(C)C(=O)C=C(C)N1C
InChIInChI=1S/C8H15N2O3P/c1-5-13-14(12)9(3)7(2)6-8(11)10(14)4/h6H,5H2,1-4H3
InChIKeyTWJKGBMMVDHWAS-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.44
Rot. Bonds2

About 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one

2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one (PubChem CID 12530625) has the molecular formula C8H15N2O3P and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one.

Molecular Properties

Compound Name2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one
PubChem CID12530625
Molecular FormulaC8H15N2O3P
Molecular Weight218.19 g/mol
Exact Mass218.08
IUPAC Name2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one
SMILESCCOP1(=O)N(C)C(=O)C=C(C)N1C
InChIInChI=1S/C8H15N2O3P/c1-5-13-14(12)9(3)7(2)6-8(11)10(14)4/h6H,5H2,1-4H3
InChIKeyTWJKGBMMVDHWAS-UHFFFAOYSA-N
XLogP1.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one?
The IUPAC name of 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one (CID 12530625) is 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one.
What is the SMILES notation for 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one?
The canonical SMILES for 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one is CCOP1(=O)N(C)C(=O)C=C(C)N1C.
What is the InChIKey of 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one?
The InChIKey is TWJKGBMMVDHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O3P/c1-5-13-14(12)9(3)7(2)6-8(11)10(14)4/h6H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one?
2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one has a molecular weight of 218.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,6-trimethyl-2-oxo-1,3,2lambda5-diazaphosphinin-4-one is sourced from PubChem (CID 12530625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).