prop-1-ene

C3H6 — CID 8252

IUPACprop-1-ene
SMILESC=CC
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
InChIKeyQQONPFPTGQHPMA-UHFFFAOYSA-N
MW42.08 g/mol
LogP1.19
Rot. Bonds

About prop-1-ene

prop-1-ene (PubChem CID 8252) has the molecular formula C3H6 and a molecular weight of 42.08 g/mol. Its IUPAC name is prop-1-ene.

Molecular Properties

Compound Nameprop-1-ene
PubChem CID8252
Molecular FormulaC3H6
Molecular Weight42.08 g/mol
Exact Mass42.05
IUPAC Nameprop-1-ene
SMILESC=CC
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
InChIKeyQQONPFPTGQHPMA-UHFFFAOYSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50042.08
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 8252) is prop-1-ene.
What is the SMILES notation for prop-1-ene?
The canonical SMILES for prop-1-ene is C=CC.
What is the InChIKey of prop-1-ene?
The InChIKey is QQONPFPTGQHPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3.
What are the key properties of prop-1-ene?
prop-1-ene has a molecular weight of 42.08 g/mol, XLogP of 1.19, 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 8252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).