ethane;4-phosphanylmorpholin-3-one

C6H14NO2P — CID 143048322

IUPACethane;4-phosphanylmorpholin-3-one
SMILESCC.O=C1COCCN1P
InChIInChI=1S/C4H8NO2P.C2H6/c6-4-3-7-2-1-5(4)8;1-2/h1-3,8H2;1-2H3
InChIKeyTXAIXKMISCRQTA-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.66
Rot. Bonds

About ethane;4-phosphanylmorpholin-3-one

ethane;4-phosphanylmorpholin-3-one (PubChem CID 143048322) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is ethane;4-phosphanylmorpholin-3-one.

Molecular Properties

Compound Nameethane;4-phosphanylmorpholin-3-one
PubChem CID143048322
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Nameethane;4-phosphanylmorpholin-3-one
SMILESCC.O=C1COCCN1P
InChIInChI=1S/C4H8NO2P.C2H6/c6-4-3-7-2-1-5(4)8;1-2/h1-3,8H2;1-2H3
InChIKeyTXAIXKMISCRQTA-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylmorpholin-3-one
CID 11007867
Methoxyacetic acid, morpholide
CID 532078
N-ethylmorpholinone
CID 12766108
3,5-Morpholinedione,4-ethyl-
CID 15506865
Iodomorpholinone
CID 54461691
(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone
CID 162417173
2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone
CID 177855969
2-Ethoxy-1-morpholin-4-ylethanone
CID 4623390
4-Propylmorpholin-3-one
CID 57710199
4-(2-Methoxyethyl)morpholin-3-one
CID 58336212
(5R)-5-methyl-4-phosphanylmorpholin-3-one
CID 58681937
4-Phosphanylmorpholin-3-one
CID 59789314

Frequently Asked Questions

What is the IUPAC name of ethane;4-phosphanylmorpholin-3-one?
The IUPAC name of ethane;4-phosphanylmorpholin-3-one (CID 143048322) is ethane;4-phosphanylmorpholin-3-one.
What is the SMILES notation for ethane;4-phosphanylmorpholin-3-one?
The canonical SMILES for ethane;4-phosphanylmorpholin-3-one is CC.O=C1COCCN1P.
What is the InChIKey of ethane;4-phosphanylmorpholin-3-one?
The InChIKey is TXAIXKMISCRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2P.C2H6/c6-4-3-7-2-1-5(4)8;1-2/h1-3,8H2;1-2H3.
What are the key properties of ethane;4-phosphanylmorpholin-3-one?
ethane;4-phosphanylmorpholin-3-one has a molecular weight of 163.16 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phosphanylmorpholin-3-one is sourced from PubChem (CID 143048322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).