1-diphenoxyphosphorylpyrrol-2-amine

C16H15N2O3P — CID 175549047

IUPAC1-diphenoxyphosphorylpyrrol-2-amine
SMILESNc1cccn1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H15N2O3P/c17-16-12-7-13-18(16)22(19,20-14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-13H,17H2
InChIKeyKLJAALQBMAZZQJ-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.18
Rot. Bonds5

About 1-diphenoxyphosphorylpyrrol-2-amine

1-diphenoxyphosphorylpyrrol-2-amine (PubChem CID 175549047) has the molecular formula C16H15N2O3P and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-diphenoxyphosphorylpyrrol-2-amine.

Molecular Properties

Compound Name1-diphenoxyphosphorylpyrrol-2-amine
PubChem CID175549047
Molecular FormulaC16H15N2O3P
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name1-diphenoxyphosphorylpyrrol-2-amine
SMILESNc1cccn1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H15N2O3P/c17-16-12-7-13-18(16)22(19,20-14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-13H,17H2
InChIKeyKLJAALQBMAZZQJ-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-diphenoxyphosphorylpyrrol-2-amine?
The IUPAC name of 1-diphenoxyphosphorylpyrrol-2-amine (CID 175549047) is 1-diphenoxyphosphorylpyrrol-2-amine.
What is the SMILES notation for 1-diphenoxyphosphorylpyrrol-2-amine?
The canonical SMILES for 1-diphenoxyphosphorylpyrrol-2-amine is Nc1cccn1P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-diphenoxyphosphorylpyrrol-2-amine?
The InChIKey is KLJAALQBMAZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O3P/c17-16-12-7-13-18(16)22(19,20-14-8-3-1-4-9-14)21-15-10-5-2-6-11-15/h1-13H,17H2.
What are the key properties of 1-diphenoxyphosphorylpyrrol-2-amine?
1-diphenoxyphosphorylpyrrol-2-amine has a molecular weight of 314.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenoxyphosphorylpyrrol-2-amine is sourced from PubChem (CID 175549047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).