2-methyl-1,3,2-dioxaphospholan-4-one

C3H5O3P — CID 59546540

IUPAC2-methyl-1,3,2-dioxaphospholan-4-one
SMILESCP1OCC(=O)O1
InChIInChI=1S/C3H5O3P/c1-7-5-2-3(4)6-7/h2H2,1H3
InChIKeyMBWWLYVYMJECPL-UHFFFAOYSA-N
MW120.04 g/mol
LogP0.50
Rot. Bonds

About 2-methyl-1,3,2-dioxaphospholan-4-one

2-methyl-1,3,2-dioxaphospholan-4-one (PubChem CID 59546540) has the molecular formula C3H5O3P and a molecular weight of 120.04 g/mol. Its IUPAC name is 2-methyl-1,3,2-dioxaphospholan-4-one.

Molecular Properties

Compound Name2-methyl-1,3,2-dioxaphospholan-4-one
PubChem CID59546540
Molecular FormulaC3H5O3P
Molecular Weight120.04 g/mol
Exact Mass120.00
IUPAC Name2-methyl-1,3,2-dioxaphospholan-4-one
SMILESCP1OCC(=O)O1
InChIInChI=1S/C3H5O3P/c1-7-5-2-3(4)6-7/h2H2,1H3
InChIKeyMBWWLYVYMJECPL-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.04
LogP ≤ 50.50
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-methyl-1,3,2-dioxaphospholan-4-one?
The IUPAC name of 2-methyl-1,3,2-dioxaphospholan-4-one (CID 59546540) is 2-methyl-1,3,2-dioxaphospholan-4-one.
What is the SMILES notation for 2-methyl-1,3,2-dioxaphospholan-4-one?
The canonical SMILES for 2-methyl-1,3,2-dioxaphospholan-4-one is CP1OCC(=O)O1.
What is the InChIKey of 2-methyl-1,3,2-dioxaphospholan-4-one?
The InChIKey is MBWWLYVYMJECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3P/c1-7-5-2-3(4)6-7/h2H2,1H3.
What are the key properties of 2-methyl-1,3,2-dioxaphospholan-4-one?
2-methyl-1,3,2-dioxaphospholan-4-one has a molecular weight of 120.04 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-dioxaphospholan-4-one is sourced from PubChem (CID 59546540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).