sodium prop-1-ene

C3H5Na — CID 12859841

IUPACsodium prop-1-ene
SMILESC=C[CH2-].[Na+]
InChIInChI=1S/C3H5.Na/c1-3-2;/h3H,1-2H2;/q-1;+1
InChIKeyDGTOAFBVEDTEBA-UHFFFAOYSA-N
MW64.06 g/mol
LogP-1.99
Rot. Bonds

About sodium prop-1-ene

sodium prop-1-ene (PubChem CID 12859841) has the molecular formula C3H5Na and a molecular weight of 64.06 g/mol. Its IUPAC name is sodium prop-1-ene.

Molecular Properties

Compound Namesodium prop-1-ene
PubChem CID12859841
Molecular FormulaC3H5Na
Molecular Weight64.06 g/mol
Exact Mass64.03
IUPAC Namesodium prop-1-ene
SMILESC=C[CH2-].[Na+]
InChIInChI=1S/C3H5.Na/c1-3-2;/h3H,1-2H2;/q-1;+1
InChIKeyDGTOAFBVEDTEBA-UHFFFAOYSA-N
XLogP-1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.06
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze sodium prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium prop-1-ene?
The IUPAC name of sodium prop-1-ene (CID 12859841) is sodium prop-1-ene.
What is the SMILES notation for sodium prop-1-ene?
The canonical SMILES for sodium prop-1-ene is C=C[CH2-].[Na+].
What is the InChIKey of sodium prop-1-ene?
The InChIKey is DGTOAFBVEDTEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.Na/c1-3-2;/h3H,1-2H2;/q-1;+1.
What are the key properties of sodium prop-1-ene?
sodium prop-1-ene has a molecular weight of 64.06 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium prop-1-ene is sourced from PubChem (CID 12859841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).