(5-oxocyclopenten-1-yl) dihydrogen phosphate

C5H7O5P — CID 130029907

IUPAC(5-oxocyclopenten-1-yl) dihydrogen phosphate
SMILESO=C1CCC=C1OP(=O)(O)O
InChIInChI=1S/C5H7O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyGPLGPHXZLUIVIT-UHFFFAOYSA-N
MW178.08 g/mol
LogP0.34
Rot. Bonds2

About (5-oxocyclopenten-1-yl) dihydrogen phosphate

(5-oxocyclopenten-1-yl) dihydrogen phosphate (PubChem CID 130029907) has the molecular formula C5H7O5P and a molecular weight of 178.08 g/mol. Its IUPAC name is (5-oxocyclopenten-1-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-oxocyclopenten-1-yl) dihydrogen phosphate
PubChem CID130029907
Molecular FormulaC5H7O5P
Molecular Weight178.08 g/mol
Exact Mass178.00
IUPAC Name(5-oxocyclopenten-1-yl) dihydrogen phosphate
SMILESO=C1CCC=C1OP(=O)(O)O
InChIInChI=1S/C5H7O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyGPLGPHXZLUIVIT-UHFFFAOYSA-N
XLogP0.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclobuten-1-yl dihydrogen phosphate
CID 150920090
CID 19021835
CID 19021835
5-oxocyclopentene-1-carboxylic acid
CID 19392068
1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene
CID 178181552
4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one
CID 10870008
N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
CID 23264533
2-(aminomethyl)cyclopent-2-en-1-one
CID 54565407
CID 131875092
CID 131875092
2-(5-oxocyclopenten-1-yl)ethyl acetate
CID 13075020
(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate
CID 10081750
(5-oxo-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl) dihydrogen phosphate
CID 170172204
1,3,5-triazin-2-yl dihydrogen phosphate
CID 57201791

Frequently Asked Questions

What is the IUPAC name of (5-oxocyclopenten-1-yl) dihydrogen phosphate?
The IUPAC name of (5-oxocyclopenten-1-yl) dihydrogen phosphate (CID 130029907) is (5-oxocyclopenten-1-yl) dihydrogen phosphate.
What is the SMILES notation for (5-oxocyclopenten-1-yl) dihydrogen phosphate?
The canonical SMILES for (5-oxocyclopenten-1-yl) dihydrogen phosphate is O=C1CCC=C1OP(=O)(O)O.
What is the InChIKey of (5-oxocyclopenten-1-yl) dihydrogen phosphate?
The InChIKey is GPLGPHXZLUIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h3H,1-2H2,(H2,7,8,9).
What are the key properties of (5-oxocyclopenten-1-yl) dihydrogen phosphate?
(5-oxocyclopenten-1-yl) dihydrogen phosphate has a molecular weight of 178.08 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxocyclopenten-1-yl) dihydrogen phosphate is sourced from PubChem (CID 130029907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).