2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one

C11H13N2O3P — CID 3074324

IUPAC2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one
SMILESO=C1NP(N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C11H13N2O3P/c14-11-9-3-1-2-4-10(9)16-17(12-11)13-5-7-15-8-6-13/h1-4H,5-8H2,(H,12,14)
InChIKeyLJAIGFGAUBBLPF-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.37
Rot. Bonds1

About 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one

2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one (PubChem CID 3074324) has the molecular formula C11H13N2O3P and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one
PubChem CID3074324
Molecular FormulaC11H13N2O3P
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one
SMILESO=C1NP(N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C11H13N2O3P/c14-11-9-3-1-2-4-10(9)16-17(12-11)13-5-7-15-8-6-13/h1-4H,5-8H2,(H,12,14)
InChIKeyLJAIGFGAUBBLPF-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 167326828
2,5,8,11,22,25-hexaoxa-19,28-diazatricyclo[28.4.0.012,17]tetratriaconta-1(34),12,14,16,30,32-hexaene-18,29-dione
CID 10505622
2,5,8,19,22-pentaoxa-16,25-diazatricyclo[25.4.0.09,14]hentriaconta-1(31),9,11,13,27,29-hexaene-15,26-dione
CID 100985413
9H-fluorene;4-methylmorpholine
CID 158477262
2-morpholin-4-ylisoindole-1,3-dione
CID 57312191
2,5,8-trioxa-16,19,22-triazatricyclo[22.4.0.09,14]octacosa-1(28),9,11,13,24,26-hexaene-15,23-dione
CID 15209318
2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 66885078
2-benzofuran-1,3-dione;oxolane
CID 158210256
3-morpholin-4-yl-4H-1,2-benzoxazine
CID 68557365
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
CID 781111
4-morpholin-4-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
CID 7114844
4-ethylmorpholine;9H-fluorene
CID 159014323

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one?
The IUPAC name of 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one (CID 3074324) is 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one?
The canonical SMILES for 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one is O=C1NP(N2CCOCC2)Oc2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one?
The InChIKey is LJAIGFGAUBBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O3P/c14-11-9-3-1-2-4-10(9)16-17(12-11)13-5-7-15-8-6-13/h1-4H,5-8H2,(H,12,14).
What are the key properties of 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one?
2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one has a molecular weight of 252.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one is sourced from PubChem (CID 3074324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).