1-chloro-2-methylcyclopentene

C6H9Cl — CID 12611388

IUPAC1-chloro-2-methylcyclopentene
SMILESCC1=C(Cl)CCC1
InChIInChI=1S/C6H9Cl/c1-5-3-2-4-6(5)7/h2-4H2,1H3
InChIKeyBRQPBEJCGCOXTR-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.68
Rot. Bonds

About 1-chloro-2-methylcyclopentene

1-chloro-2-methylcyclopentene (PubChem CID 12611388) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-chloro-2-methylcyclopentene.

Molecular Properties

Compound Name1-chloro-2-methylcyclopentene
PubChem CID12611388
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-chloro-2-methylcyclopentene
SMILESCC1=C(Cl)CCC1
InChIInChI=1S/C6H9Cl/c1-5-3-2-4-6(5)7/h2-4H2,1H3
InChIKeyBRQPBEJCGCOXTR-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-2-methylcyclohexene
CID 565361
1-Chloro-2-(2-fluoroethyl)cyclopentene
CID 162785190
4,4-Dichloro-1,2-dimethylcyclopentene
CID 13433963
3-Chloro-2-methylhept-2-ene
CID 12550096
1-Chloro-2-(chloromethyl)cyclopentene
CID 12632714
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
4-Chloro-1,2-dimethylcyclopentene
CID 13433964
1-(Chloromethyl)-2-methylcyclopentene
CID 55301921
3-Chloro-1,2-dimethylcyclopentene
CID 18343526
2-Chloro-1-methyl-3-methylidenecyclopentene
CID 21138319
3-Chloro-2-methylhex-2-ene
CID 22613996

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclopentene?
The IUPAC name of 1-chloro-2-methylcyclopentene (CID 12611388) is 1-chloro-2-methylcyclopentene.
What is the SMILES notation for 1-chloro-2-methylcyclopentene?
The canonical SMILES for 1-chloro-2-methylcyclopentene is CC1=C(Cl)CCC1.
What is the InChIKey of 1-chloro-2-methylcyclopentene?
The InChIKey is BRQPBEJCGCOXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c1-5-3-2-4-6(5)7/h2-4H2,1H3.
What are the key properties of 1-chloro-2-methylcyclopentene?
1-chloro-2-methylcyclopentene has a molecular weight of 116.59 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylcyclopentene is sourced from PubChem (CID 12611388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).