1-chloropent-2-ene

C5H9Cl — CID 54365309

IUPAC1-chloropent-2-ene
SMILESCCC=CCCl
InChIInChI=1S/C5H9Cl/c1-2-3-4-5-6/h3-4H,2,5H2,1H3
InChIKeyUPJCRKZUCADENN-UHFFFAOYSA-N
MW104.58 g/mol
LogP2.19
Rot. Bonds2

About 1-chloropent-2-ene

1-chloropent-2-ene (PubChem CID 54365309) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is 1-chloropent-2-ene.

Molecular Properties

Compound Name1-chloropent-2-ene
PubChem CID54365309
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name1-chloropent-2-ene
SMILESCCC=CCCl
InChIInChI=1S/C5H9Cl/c1-2-3-4-5-6/h3-4H,2,5H2,1H3
InChIKeyUPJCRKZUCADENN-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloropent-2-ene
CID 642169
3-Hexene, 1-chloro-, (3Z)-
CID 6436531
2-Pentene, 4-chloro-
CID 5365840
2-Pentene, 5-chloro-, (2E)-
CID 6436376
2-Pentene, 5-chloro-, (Z)-
CID 6437049
cis-1-Chloro-pent-2-ene
CID 12215088
1-Chloro-2-heptene
CID 5475544
2-Hexene, 1-chloro-
CID 5362650
3-Hexene, 1-chloro-, (3E)-
CID 6437766
cis-6-Chloro-2-hexene
CID 12466001
4-Chloro-2-pentene
CID 518970
2-Chloro-2-pentene
CID 5463222

Frequently Asked Questions

What is the IUPAC name of 1-chloropent-2-ene?
The IUPAC name of 1-chloropent-2-ene (CID 54365309) is 1-chloropent-2-ene.
What is the SMILES notation for 1-chloropent-2-ene?
The canonical SMILES for 1-chloropent-2-ene is CCC=CCCl.
What is the InChIKey of 1-chloropent-2-ene?
The InChIKey is UPJCRKZUCADENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl/c1-2-3-4-5-6/h3-4H,2,5H2,1H3.
What are the key properties of 1-chloropent-2-ene?
1-chloropent-2-ene has a molecular weight of 104.58 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropent-2-ene is sourced from PubChem (CID 54365309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).