prop-1-ene

C3H5- — CID 18724448

IUPACprop-1-ene
SMILESC=[C-]C
InChIInChI=1S/C3H5/c1-3-2/h1H2,2H3/q-1
InChIKeyYAZDSYHMUXODIE-UHFFFAOYSA-N
MW41.07 g/mol
LogP1.00
Rot. Bonds

About prop-1-ene

prop-1-ene (PubChem CID 18724448) has the molecular formula C3H5- and a molecular weight of 41.07 g/mol. Its IUPAC name is prop-1-ene.

Molecular Properties

Compound Nameprop-1-ene
PubChem CID18724448
Molecular FormulaC3H5-
Molecular Weight41.07 g/mol
Exact Mass41.04
IUPAC Nameprop-1-ene
SMILESC=[C-]C
InChIInChI=1S/C3H5/c1-3-2/h1H2,2H3/q-1
InChIKeyYAZDSYHMUXODIE-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50041.07
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-1-ene?
The IUPAC name of prop-1-ene (CID 18724448) is prop-1-ene.
What is the SMILES notation for prop-1-ene?
The canonical SMILES for prop-1-ene is C=[C-]C.
What is the InChIKey of prop-1-ene?
The InChIKey is YAZDSYHMUXODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5/c1-3-2/h1H2,2H3/q-1.
What are the key properties of prop-1-ene?
prop-1-ene has a molecular weight of 41.07 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene is sourced from PubChem (CID 18724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).