3-deuterioprop-1-ene

C3H6 — CID 15621135

IUPAC3-deuterioprop-1-ene
SMILES[2H]CC=C
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D
InChIKeyQQONPFPTGQHPMA-VMNATFBRSA-N
MW43.09 g/mol
LogP1.19
Rot. Bonds1

About 3-deuterioprop-1-ene

3-deuterioprop-1-ene (PubChem CID 15621135) has the molecular formula C3H6 and a molecular weight of 43.09 g/mol. Its IUPAC name is 3-deuterioprop-1-ene.

Molecular Properties

Compound Name3-deuterioprop-1-ene
PubChem CID15621135
Molecular FormulaC3H6
Molecular Weight43.09 g/mol
Exact Mass43.05
IUPAC Name3-deuterioprop-1-ene
SMILES[2H]CC=C
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D
InChIKeyQQONPFPTGQHPMA-VMNATFBRSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50043.09
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-deuterioprop-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

Related Compounds

Propylene
CID 8252
Cyclopropene
CID 123173
trans-1-Fluoro-1-propene
CID 5463203
cis-1-Fluoro-1-propene
CID 6432206
Propene-d6
CID 137051
Magnesium, bromo-1-propenyl-
CID 5112801
(2-~13~C)Prop-1-ene
CID 15621143
1-Propene, 1-fluoro-
CID 140488
Ethene--prop-1-ene (1/1)
CID 62702
2-Propenyl
CID 123136
1-Propenylmagnesium bromide
CID 6095961
Sodium prop-2-en-1-ide
CID 12859841

Frequently Asked Questions

What is the IUPAC name of 3-deuterioprop-1-ene?
The IUPAC name of 3-deuterioprop-1-ene (CID 15621135) is 3-deuterioprop-1-ene.
What is the SMILES notation for 3-deuterioprop-1-ene?
The canonical SMILES for 3-deuterioprop-1-ene is [2H]CC=C.
What is the InChIKey of 3-deuterioprop-1-ene?
The InChIKey is QQONPFPTGQHPMA-VMNATFBRSA-N. The full InChI is InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D.
What are the key properties of 3-deuterioprop-1-ene?
3-deuterioprop-1-ene has a molecular weight of 43.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterioprop-1-ene is sourced from PubChem (CID 15621135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).