4-phosphorosomorpholine

C4H8NO2P — CID 57124301

IUPAC4-phosphorosomorpholine
SMILESO=PN1CCOCC1
InChIInChI=1S/C4H8NO2P/c6-8-5-1-3-7-4-2-5/h1-4H2
InChIKeyNRGDINRIJHXELX-UHFFFAOYSA-N
MW133.09 g/mol
LogP0.53
Rot. Bonds1

About 4-phosphorosomorpholine

4-phosphorosomorpholine (PubChem CID 57124301) has the molecular formula C4H8NO2P and a molecular weight of 133.09 g/mol. Its IUPAC name is 4-phosphorosomorpholine.

Molecular Properties

Compound Name4-phosphorosomorpholine
PubChem CID57124301
Molecular FormulaC4H8NO2P
Molecular Weight133.09 g/mol
Exact Mass133.03
IUPAC Name4-phosphorosomorpholine
SMILESO=PN1CCOCC1
InChIInChI=1S/C4H8NO2P/c6-8-5-1-3-7-4-2-5/h1-4H2
InChIKeyNRGDINRIJHXELX-UHFFFAOYSA-N
XLogP0.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.09
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phosphorosomorpholine?
The IUPAC name of 4-phosphorosomorpholine (CID 57124301) is 4-phosphorosomorpholine.
What is the SMILES notation for 4-phosphorosomorpholine?
The canonical SMILES for 4-phosphorosomorpholine is O=PN1CCOCC1.
What is the InChIKey of 4-phosphorosomorpholine?
The InChIKey is NRGDINRIJHXELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2P/c6-8-5-1-3-7-4-2-5/h1-4H2.
What are the key properties of 4-phosphorosomorpholine?
4-phosphorosomorpholine has a molecular weight of 133.09 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphorosomorpholine is sourced from PubChem (CID 57124301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).