1-(chloromethyl)cyclopentene

C6H9Cl — CID 12914389

IUPAC1-(chloromethyl)cyclopentene
SMILESClCC1=CCCC1
InChIInChI=1S/C6H9Cl/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyBWHPJIXBOXQWHW-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.34
Rot. Bonds1

About 1-(chloromethyl)cyclopentene

1-(chloromethyl)cyclopentene (PubChem CID 12914389) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-(chloromethyl)cyclopentene.

Molecular Properties

Compound Name1-(chloromethyl)cyclopentene
PubChem CID12914389
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-(chloromethyl)cyclopentene
SMILESClCC1=CCCC1
InChIInChI=1S/C6H9Cl/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyBWHPJIXBOXQWHW-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.34
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

(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
Cyclohexene, 1-(chloromethyl)-
CID 11974168
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
(e)-1-(Chloromethyl)cyclohept-1-ene
CID 55303728
6-Chloro-1-methylcyclohexene
CID 12550098
(E)-6-chloro-3-methylhex-2-ene
CID 21338183
(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 162949524
2-Chloro-6-methyl-5-octene
CID 53773602
5-Chloro-1-fluoro-3-methylhex-2-ene
CID 123220735
(4S)-1-(chloromethyl)-4-fluorocyclohexene
CID 132196573

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)cyclopentene?
The IUPAC name of 1-(chloromethyl)cyclopentene (CID 12914389) is 1-(chloromethyl)cyclopentene.
What is the SMILES notation for 1-(chloromethyl)cyclopentene?
The canonical SMILES for 1-(chloromethyl)cyclopentene is ClCC1=CCCC1.
What is the InChIKey of 1-(chloromethyl)cyclopentene?
The InChIKey is BWHPJIXBOXQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2.
What are the key properties of 1-(chloromethyl)cyclopentene?
1-(chloromethyl)cyclopentene has a molecular weight of 116.59 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)cyclopentene is sourced from PubChem (CID 12914389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).