4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine

C12H20N3O3P — CID 135007673

IUPAC4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine
SMILESO=P(c1ccc[nH]1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N3O3P/c16-19(12-2-1-3-13-12,14-4-8-17-9-5-14)15-6-10-18-11-7-15/h1-3,13H,4-11H2
InChIKeyNSXJNBMIISDZMS-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.50
Rot. Bonds3

About 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine

4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine (PubChem CID 135007673) has the molecular formula C12H20N3O3P and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine
PubChem CID135007673
Molecular FormulaC12H20N3O3P
Molecular Weight285.28 g/mol
Exact Mass285.12
IUPAC Name4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine
SMILESO=P(c1ccc[nH]1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N3O3P/c16-19(12-2-1-3-13-12,14-4-8-17-9-5-14)15-6-10-18-11-7-15/h1-3,13H,4-11H2
InChIKeyNSXJNBMIISDZMS-UHFFFAOYSA-N
XLogP0.50
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine?
The IUPAC name of 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine (CID 135007673) is 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine is O=P(c1ccc[nH]1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine?
The InChIKey is NSXJNBMIISDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N3O3P/c16-19(12-2-1-3-13-12,14-4-8-17-9-5-14)15-6-10-18-11-7-15/h1-3,13H,4-11H2.
What are the key properties of 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine?
4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine has a molecular weight of 285.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl(1H-pyrrol-2-yl)phosphoryl]morpholine is sourced from PubChem (CID 135007673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).