3-chloropent-1-ene

C5H9Cl — CID 520120

IUPAC3-chloropent-1-ene
SMILESC=CC(Cl)CC
InChIInChI=1S/C5H9Cl/c1-3-5(6)4-2/h3,5H,1,4H2,2H3
InChIKeyGEVKGFRTXNJNKK-UHFFFAOYSA-N
MW104.58 g/mol
LogP2.19
Rot. Bonds2

About 3-chloropent-1-ene

3-chloropent-1-ene (PubChem CID 520120) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is 3-chloropent-1-ene.

Molecular Properties

Compound Name3-chloropent-1-ene
PubChem CID520120
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name3-chloropent-1-ene
SMILESC=CC(Cl)CC
InChIInChI=1S/C5H9Cl/c1-3-5(6)4-2/h3,5H,1,4H2,2H3
InChIKeyGEVKGFRTXNJNKK-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

3-Chloro-1-butene
CID 11242
4-Chloro-1-butene
CID 13565
6-Chloro-1-hexene
CID 70233
1-Chloro-1-butene
CID 5463507
5-Chloro-1-pentene
CID 523042
3-Hexene, 1-chloro-, (3Z)-
CID 6436531
1-Pentene, 1-chloro-
CID 6433781
4-Chloro-3-methyl-1-butene
CID 543791
(1E)-1-Chloro-1-hexene
CID 643138
(Z)-1-chloro-hex-1-ene
CID 643940
(Z)-1-Chloro-1-butene
CID 5364401
2-Pentene, 5-chloro-, (2E)-
CID 6436376

Frequently Asked Questions

What is the IUPAC name of 3-chloropent-1-ene?
The IUPAC name of 3-chloropent-1-ene (CID 520120) is 3-chloropent-1-ene.
What is the SMILES notation for 3-chloropent-1-ene?
The canonical SMILES for 3-chloropent-1-ene is C=CC(Cl)CC.
What is the InChIKey of 3-chloropent-1-ene?
The InChIKey is GEVKGFRTXNJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl/c1-3-5(6)4-2/h3,5H,1,4H2,2H3.
What are the key properties of 3-chloropent-1-ene?
3-chloropent-1-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 3-chloropent-1-ene is sourced from PubChem (CID 520120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).