1-chlorobut-1-ene

C4H7Cl — CID 20526

IUPAC1-chlorobut-1-ene
SMILESCCC=CCl
InChIInChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3
InChIKeyDUDKKPVINWLFBI-UHFFFAOYSA-N
MW90.55 g/mol
LogP2.15
Rot. Bonds1

About 1-chlorobut-1-ene

1-chlorobut-1-ene (PubChem CID 20526) has the molecular formula C4H7Cl and a molecular weight of 90.55 g/mol. Its IUPAC name is 1-chlorobut-1-ene.

Molecular Properties

Compound Name1-chlorobut-1-ene
PubChem CID20526
Molecular FormulaC4H7Cl
Molecular Weight90.55 g/mol
Exact Mass90.02
IUPAC Name1-chlorobut-1-ene
SMILESCCC=CCl
InChIInChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3
InChIKeyDUDKKPVINWLFBI-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chlorobut-1-ene?
The IUPAC name of 1-chlorobut-1-ene (CID 20526) is 1-chlorobut-1-ene.
What is the SMILES notation for 1-chlorobut-1-ene?
The canonical SMILES for 1-chlorobut-1-ene is CCC=CCl.
What is the InChIKey of 1-chlorobut-1-ene?
The InChIKey is DUDKKPVINWLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3.
What are the key properties of 1-chlorobut-1-ene?
1-chlorobut-1-ene has a molecular weight of 90.55 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobut-1-ene is sourced from PubChem (CID 20526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).