sodium 3-oxidooxyprop-1-ene

C3H5NaO2 — CID 173219790

IUPACsodium 3-oxidooxyprop-1-ene
SMILESC=CCO[O-].[Na+]
InChIInChI=1S/C3H6O2.Na/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1
InChIKeyRNNXNRUWPZEKPX-UHFFFAOYSA-M
MW96.06 g/mol
LogP-3.53
Rot. Bonds2

About sodium 3-oxidooxyprop-1-ene

sodium 3-oxidooxyprop-1-ene (PubChem CID 173219790) has the molecular formula C3H5NaO2 and a molecular weight of 96.06 g/mol. Its IUPAC name is sodium 3-oxidooxyprop-1-ene.

Molecular Properties

Compound Namesodium 3-oxidooxyprop-1-ene
PubChem CID173219790
Molecular FormulaC3H5NaO2
Molecular Weight96.06 g/mol
Exact Mass96.02
IUPAC Namesodium 3-oxidooxyprop-1-ene
SMILESC=CCO[O-].[Na+]
InChIInChI=1S/C3H6O2.Na/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1
InChIKeyRNNXNRUWPZEKPX-UHFFFAOYSA-M
XLogP-3.53
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.06
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

disodium;prop-2-enyl phosphate
CID 87157623
zinc prop-2-enyl phosphate
CID 87515855
Potassium allyloxide
CID 87828396
prop-2-enyl bromite
CID 139660465
CID 173009539
CID 173009539
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
sodium prop-2-enoxy sulfate
CID 138633937
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
trizinc bis(trioxido(prop-2-enoxy)silane)
CID 173011776
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
CID 87625662
CID 87625662
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640

Frequently Asked Questions

What is the IUPAC name of sodium 3-oxidooxyprop-1-ene?
The IUPAC name of sodium 3-oxidooxyprop-1-ene (CID 173219790) is sodium 3-oxidooxyprop-1-ene.
What is the SMILES notation for sodium 3-oxidooxyprop-1-ene?
The canonical SMILES for sodium 3-oxidooxyprop-1-ene is C=CCO[O-].[Na+].
What is the InChIKey of sodium 3-oxidooxyprop-1-ene?
The InChIKey is RNNXNRUWPZEKPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.Na/c1-2-3-5-4;/h2,4H,1,3H2;/q;+1/p-1.
What are the key properties of sodium 3-oxidooxyprop-1-ene?
sodium 3-oxidooxyprop-1-ene has a molecular weight of 96.06 g/mol, XLogP of -3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-oxidooxyprop-1-ene is sourced from PubChem (CID 173219790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).