sodium prop-1-yne

C3H3Na — CID 11018800

IUPACsodium prop-1-yne
SMILES[C-]#CC.[Na+]
InChIInChI=1S/C3H3.Na/c1-3-2;/h1H3;/q-1;+1
InChIKeyDRVUSWMNSHIXEP-UHFFFAOYSA-N
MW62.05 g/mol
LogP-2.40
Rot. Bonds

About sodium prop-1-yne

sodium prop-1-yne (PubChem CID 11018800) has the molecular formula C3H3Na and a molecular weight of 62.05 g/mol. Its IUPAC name is sodium prop-1-yne.

Molecular Properties

Compound Namesodium prop-1-yne
PubChem CID11018800
Molecular FormulaC3H3Na
Molecular Weight62.05 g/mol
Exact Mass62.01
IUPAC Namesodium prop-1-yne
SMILES[C-]#CC.[Na+]
InChIInChI=1S/C3H3.Na/c1-3-2;/h1H3;/q-1;+1
InChIKeyDRVUSWMNSHIXEP-UHFFFAOYSA-N
XLogP-2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.05
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium prop-1-yne?
The IUPAC name of sodium prop-1-yne (CID 11018800) is sodium prop-1-yne.
What is the SMILES notation for sodium prop-1-yne?
The canonical SMILES for sodium prop-1-yne is [C-]#CC.[Na+].
What is the InChIKey of sodium prop-1-yne?
The InChIKey is DRVUSWMNSHIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3.Na/c1-3-2;/h1H3;/q-1;+1.
What are the key properties of sodium prop-1-yne?
sodium prop-1-yne has a molecular weight of 62.05 g/mol, XLogP of -2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium prop-1-yne is sourced from PubChem (CID 11018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).