prop-2-en-1-olate

C3H4O-2 — CID 154718859

IUPACprop-2-en-1-olate
SMILES[H]/[C-]=C/C[O-]
InChIInChI=1S/C3H4O/c1-2-3-4/h1-2H,3H2/q-2
InChIKeyFLHVYEQXFXZZNA-UHFFFAOYSA-N
MW56.06 g/mol
LogP-0.66
Rot. Bonds1

About prop-2-en-1-olate

prop-2-en-1-olate (PubChem CID 154718859) has the molecular formula C3H4O-2 and a molecular weight of 56.06 g/mol. Its IUPAC name is prop-2-en-1-olate.

Molecular Properties

Compound Nameprop-2-en-1-olate
PubChem CID154718859
Molecular FormulaC3H4O-2
Molecular Weight56.06 g/mol
Exact Mass56.03
IUPAC Nameprop-2-en-1-olate
SMILES[H]/[C-]=C/C[O-]
InChIInChI=1S/C3H4O/c1-2-3-4/h1-2H,3H2/q-2
InChIKeyFLHVYEQXFXZZNA-UHFFFAOYSA-N
XLogP-0.66
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.06
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-olate?
The IUPAC name of prop-2-en-1-olate (CID 154718859) is prop-2-en-1-olate.
What is the SMILES notation for prop-2-en-1-olate?
The canonical SMILES for prop-2-en-1-olate is [H]/[C-]=C/C[O-].
What is the InChIKey of prop-2-en-1-olate?
The InChIKey is FLHVYEQXFXZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O/c1-2-3-4/h1-2H,3H2/q-2.
What are the key properties of prop-2-en-1-olate?
prop-2-en-1-olate has a molecular weight of 56.06 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-olate is sourced from PubChem (CID 154718859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).