(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium

C5H5NO4P+ — CID 130463892

IUPAC(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium
SMILESCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C5H5NO4P/c1-10-11(9)6-4(7)2-3-5(6)8/h2-3H,1H3/q+1
InChIKeyLEVJWQKYHDPIDQ-UHFFFAOYSA-N
MW174.07 g/mol
LogP0.22
Rot. Bonds2

About (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium

(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium (PubChem CID 130463892) has the molecular formula C5H5NO4P+ and a molecular weight of 174.07 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium
PubChem CID130463892
Molecular FormulaC5H5NO4P+
Molecular Weight174.07 g/mol
Exact Mass174.00
IUPAC Name(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium
SMILESCO[P+](=O)N1C(=O)C=CC1=O
InChIInChI=1S/C5H5NO4P/c1-10-11(9)6-4(7)2-3-5(6)8/h2-3H,1H3/q+1
InChIKeyLEVJWQKYHDPIDQ-UHFFFAOYSA-N
XLogP0.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium (CID 130463892) is (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium is CO[P+](=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium?
The InChIKey is LEVJWQKYHDPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4P/c1-10-11(9)6-4(7)2-3-5(6)8/h2-3H,1H3/q+1.
What are the key properties of (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium?
(2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium has a molecular weight of 174.07 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)-methoxy-oxophosphanium is sourced from PubChem (CID 130463892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).