(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane

C19H27N4O2P — CID 3705278

IUPAC(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane
SMILESCn1cccc1P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C19H27N4O2P/c1-21-9-5-8-19(21)26(22-10-14-24-15-11-22,23-12-16-25-17-13-23)20-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3
InChIKeyRSOCMHJPBXUOIJ-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.68
Rot. Bonds4

About (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane

(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane (PubChem CID 3705278) has the molecular formula C19H27N4O2P and a molecular weight of 374.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane
PubChem CID3705278
Molecular FormulaC19H27N4O2P
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane
SMILESCn1cccc1P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C19H27N4O2P/c1-21-9-5-8-19(21)26(22-10-14-24-15-11-22,23-12-16-25-17-13-23)20-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3
InChIKeyRSOCMHJPBXUOIJ-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-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane?
The IUPAC name of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane (CID 3705278) is (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane.
What is the SMILES notation for (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane?
The canonical SMILES for (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane is Cn1cccc1P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane?
The InChIKey is RSOCMHJPBXUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N4O2P/c1-21-9-5-8-19(21)26(22-10-14-24-15-11-22,23-12-16-25-17-13-23)20-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane?
(1-methylpyrrol-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-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-2-yl)-dimorpholin-4-yl-phenylimino-lambda5-phosphane is sourced from PubChem (CID 3705278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).