(2-oxopyrrolidin-1-yl) dihydrogen phosphate

C4H8NO5P — CID 67651665

IUPAC(2-oxopyrrolidin-1-yl) dihydrogen phosphate
SMILESO=C1CCCN1OP(=O)(O)O
InChIInChI=1S/C4H8NO5P/c6-4-2-1-3-5(4)10-11(7,8)9/h1-3H2,(H2,7,8,9)
InChIKeyPNWAYADCVIVCFE-UHFFFAOYSA-N
MW181.08 g/mol
LogP-0.37
Rot. Bonds2

About (2-oxopyrrolidin-1-yl) dihydrogen phosphate

(2-oxopyrrolidin-1-yl) dihydrogen phosphate (PubChem CID 67651665) has the molecular formula C4H8NO5P and a molecular weight of 181.08 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) dihydrogen phosphate
PubChem CID67651665
Molecular FormulaC4H8NO5P
Molecular Weight181.08 g/mol
Exact Mass181.01
IUPAC Name(2-oxopyrrolidin-1-yl) dihydrogen phosphate
SMILESO=C1CCCN1OP(=O)(O)O
InChIInChI=1S/C4H8NO5P/c6-4-2-1-3-5(4)10-11(7,8)9/h1-3H2,(H2,7,8,9)
InChIKeyPNWAYADCVIVCFE-UHFFFAOYSA-N
XLogP-0.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) dihydrogen phosphate?
The IUPAC name of (2-oxopyrrolidin-1-yl) dihydrogen phosphate (CID 67651665) is (2-oxopyrrolidin-1-yl) dihydrogen phosphate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) dihydrogen phosphate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) dihydrogen phosphate is O=C1CCCN1OP(=O)(O)O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) dihydrogen phosphate?
The InChIKey is PNWAYADCVIVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO5P/c6-4-2-1-3-5(4)10-11(7,8)9/h1-3H2,(H2,7,8,9).
What are the key properties of (2-oxopyrrolidin-1-yl) dihydrogen phosphate?
(2-oxopyrrolidin-1-yl) dihydrogen phosphate has a molecular weight of 181.08 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) dihydrogen phosphate is sourced from PubChem (CID 67651665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).