but-1-ene

C4H8 — CID 7844

IUPACbut-1-ene
SMILESC=CCC
InChIInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
InChIKeyVXNZUUAINFGPBY-UHFFFAOYSA-N
MW56.11 g/mol
LogP1.58
Rot. Bonds1

About but-1-ene

but-1-ene (PubChem CID 7844) has the molecular formula C4H8 and a molecular weight of 56.11 g/mol. Its IUPAC name is but-1-ene.

Molecular Properties

Compound Namebut-1-ene
PubChem CID7844
Molecular FormulaC4H8
Molecular Weight56.11 g/mol
Exact Mass56.06
IUPAC Namebut-1-ene
SMILESC=CCC
InChIInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
InChIKeyVXNZUUAINFGPBY-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.11
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-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

Isoprene
CID 6557
1-Pentene
CID 8004
1-Hexene
CID 11597
1-Heptene
CID 11610
3-Methyl-1-butene
CID 11239
cis-2-PENTENE
CID 5326160
trans-2-Pentene
CID 5326161
1,5-Hexadiene
CID 11598
1,4-Hexadiene
CID 11599
Pent-2-ene
CID 12585
trans-1,4-Hexadiene
CID 5365552
Penta-1,2-diene
CID 11588

Frequently Asked Questions

What is the IUPAC name of but-1-ene?
The IUPAC name of but-1-ene (CID 7844) is but-1-ene.
What is the SMILES notation for but-1-ene?
The canonical SMILES for but-1-ene is C=CCC.
What is the InChIKey of but-1-ene?
The InChIKey is VXNZUUAINFGPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3.
What are the key properties of but-1-ene?
but-1-ene has a molecular weight of 56.11 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene is sourced from PubChem (CID 7844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).