(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane

C19H27N4O2P — CID 4626551

IUPAC(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
SMILESCn1ccc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C19H27N4O2P/c1-21-8-7-19(17-21)26(22-9-13-24-14-10-22,23-11-15-25-16-12-23)20-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3
InChIKeyGELICOFZUNIXDM-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.68
Rot. Bonds4

About (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane

(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane (PubChem CID 4626551) has the molecular formula C19H27N4O2P and a molecular weight of 374.43 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane.

Molecular Properties

Compound Name(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
PubChem CID4626551
Molecular FormulaC19H27N4O2P
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
SMILESCn1ccc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C19H27N4O2P/c1-21-8-7-19(17-21)26(22-9-13-24-14-10-22,23-11-15-25-16-12-23)20-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3
InChIKeyGELICOFZUNIXDM-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-phenylimino-λ5-phosphane?
The IUPAC name of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane (CID 4626551) is (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane.
What is the SMILES notation for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
The canonical SMILES for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane is Cn1ccc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)c1.
What is the InChIKey of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
The InChIKey is GELICOFZUNIXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N4O2P/c1-21-8-7-19(17-21)26(22-9-13-24-14-10-22,23-11-15-25-16-12-23)20-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3.
What are the key properties of (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
(1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane has a molecular weight of 374.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane is sourced from PubChem (CID 4626551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).