4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C4H10NO3P — CID 72973952

IUPAC4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCC1CCOP(N)(=O)O1
InChIInChI=1S/C4H10NO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3,(H2,5,6)
InChIKeyRGKAENADJBSJHH-UHFFFAOYSA-N
MW151.10 g/mol
LogP0.88
Rot. Bonds

About 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 72973952) has the molecular formula C4H10NO3P and a molecular weight of 151.10 g/mol. Its IUPAC name is 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound Name4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID72973952
Molecular FormulaC4H10NO3P
Molecular Weight151.10 g/mol
Exact Mass151.04
IUPAC Name4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCC1CCOP(N)(=O)O1
InChIInChI=1S/C4H10NO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3,(H2,5,6)
InChIKeyRGKAENADJBSJHH-UHFFFAOYSA-N
XLogP0.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 72973952) is 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is CC1CCOP(N)(=O)O1.
What is the InChIKey of 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is RGKAENADJBSJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3,(H2,5,6).
What are the key properties of 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 151.10 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 72973952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).