4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine

C13H22N3O3P — CID 2322068

IUPAC4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine
SMILESCn1ccc(P(=O)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C13H22N3O3P/c1-14-3-2-13(12-14)20(17,15-4-8-18-9-5-15)16-6-10-19-11-7-16/h2-3,12H,4-11H2,1H3
InChIKeyYDZVDDGPCUTSCE-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.51
Rot. Bonds3

About 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine

4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine (PubChem CID 2322068) has the molecular formula C13H22N3O3P and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine.

Molecular Properties

Compound Name4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine
PubChem CID2322068
Molecular FormulaC13H22N3O3P
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Name4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine
SMILESCn1ccc(P(=O)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C13H22N3O3P/c1-14-3-2-13(12-14)20(17,15-4-8-18-9-5-15)16-6-10-19-11-7-16/h2-3,12H,4-11H2,1H3
InChIKeyYDZVDDGPCUTSCE-UHFFFAOYSA-N
XLogP0.51
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[{4-[di(4-morpholinyl)phosphorothioyl]-1-methyl-1H-pyrrol-2-yl}(4-morpholinyl)phosphoryl]morpholine
CID 3549239
4-[{4-[di(4-morpholinyl)phosphorothioyl]-1-methyl-1H-pyrrol-2-yl}(4-morpholinyl)phosphorothioyl]morpholine
CID 4077757
[4-[Bis(4-morpholinyl)phosphoryl]-1-methyl-2-pyrrolyl]-bis(4-morpholinyl)-sulfanylidenephosphorane
CID 5064871
2-pyrrol-1-ylethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 172436833
1-(2-Methoxyethyl)-1H-pyrrole
CID 14814650
4-(Pyrrol-1-ylmethyl)morpholine
CID 14983416
1-t-Butyl-3-bis(morpholino)thiophosphoryl-1h-pyrrole
CID 2106604
N-(3,6-dioxaheptyl)pyrrole
CID 14814649
1-t-Butyl-3-bis(morpholino)phosphoryl-1h-pyrrole
CID 129791474
4-[morpholin-4-yl(1H-pyrrol-3-yl)phosphoryl]morpholine
CID 135007672
4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine
CID 135007673
[1-[Tert-butyl(dimethyl)silyl]pyrrol-3-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 135053527

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine?
The IUPAC name of 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine (CID 2322068) is 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine.
What is the SMILES notation for 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine?
The canonical SMILES for 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine is Cn1ccc(P(=O)(N2CCOCC2)N2CCOCC2)c1.
What is the InChIKey of 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine?
The InChIKey is YDZVDDGPCUTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N3O3P/c1-14-3-2-13(12-14)20(17,15-4-8-18-9-5-15)16-6-10-19-11-7-16/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine?
4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine has a molecular weight of 299.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrol-3-yl)-morpholin-4-ylphosphoryl]morpholine is sourced from PubChem (CID 2322068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).