morpholin-4-ylphosphonous acid

C4H10NO3P — CID 45122822

IUPACmorpholin-4-ylphosphonous acid
SMILESOP(O)N1CCOCC1
InChIInChI=1S/C4H10NO3P/c6-9(7)5-1-3-8-4-2-5/h6-7H,1-4H2
InChIKeyZSUVOWRFOBEXRO-UHFFFAOYSA-N
MW151.10 g/mol
LogP-0.47
Rot. Bonds1

About morpholin-4-ylphosphonous acid

morpholin-4-ylphosphonous acid (PubChem CID 45122822) has the molecular formula C4H10NO3P and a molecular weight of 151.10 g/mol. Its IUPAC name is morpholin-4-ylphosphonous acid.

Molecular Properties

Compound Namemorpholin-4-ylphosphonous acid
PubChem CID45122822
Molecular FormulaC4H10NO3P
Molecular Weight151.10 g/mol
Exact Mass151.04
IUPAC Namemorpholin-4-ylphosphonous acid
SMILESOP(O)N1CCOCC1
InChIInChI=1S/C4H10NO3P/c6-9(7)5-1-3-8-4-2-5/h6-7H,1-4H2
InChIKeyZSUVOWRFOBEXRO-UHFFFAOYSA-N
XLogP-0.47
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylphosphonous acid?
The IUPAC name of morpholin-4-ylphosphonous acid (CID 45122822) is morpholin-4-ylphosphonous acid.
What is the SMILES notation for morpholin-4-ylphosphonous acid?
The canonical SMILES for morpholin-4-ylphosphonous acid is OP(O)N1CCOCC1.
What is the InChIKey of morpholin-4-ylphosphonous acid?
The InChIKey is ZSUVOWRFOBEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3P/c6-9(7)5-1-3-8-4-2-5/h6-7H,1-4H2.
What are the key properties of morpholin-4-ylphosphonous acid?
morpholin-4-ylphosphonous acid has a molecular weight of 151.10 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylphosphonous acid is sourced from PubChem (CID 45122822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).