(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane

C19H26N5O4P — CID 5083484

IUPAC(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane
SMILESCn1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C19H26N5O4P/c1-21-7-6-19(16-21)29(22-8-12-27-13-9-22,23-10-14-28-15-11-23)20-17-2-4-18(5-3-17)24(25)26/h2-7,16H,8-15H2,1H3
InChIKeyFWWAQWMVIDMSDI-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.59
Rot. Bonds5

About (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane

(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane (PubChem CID 5083484) has the molecular formula C19H26N5O4P and a molecular weight of 419.42 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane.

Molecular Properties

Compound Name(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane
PubChem CID5083484
Molecular FormulaC19H26N5O4P
Molecular Weight419.42 g/mol
Exact Mass419.17
IUPAC Name(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane
SMILESCn1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C19H26N5O4P/c1-21-7-6-19(16-21)29(22-8-12-27-13-9-22,23-10-14-28-15-11-23)20-17-2-4-18(5-3-17)24(25)26/h2-7,16H,8-15H2,1H3
InChIKeyFWWAQWMVIDMSDI-UHFFFAOYSA-N
XLogP2.59
TPSA85.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane?
The IUPAC name of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane (CID 5083484) is (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane.
What is the SMILES notation for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane?
The canonical SMILES for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane is Cn1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)c1.
What is the InChIKey of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane?
The InChIKey is FWWAQWMVIDMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N5O4P/c1-21-7-6-19(16-21)29(22-8-12-27-13-9-22,23-10-14-28-15-11-23)20-17-2-4-18(5-3-17)24(25)26/h2-7,16H,8-15H2,1H3.
What are the key properties of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane?
(1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane has a molecular weight of 419.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-(4-nitrophenyl)imino-lambda5-phosphane is sourced from PubChem (CID 5083484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).