2-chloro-1-methyl-3-methylidenecyclopentene

C7H9Cl — CID 21138319

IUPAC2-chloro-1-methyl-3-methylidenecyclopentene
SMILESC=C1CCC(C)=C1Cl
InChIInChI=1S/C7H9Cl/c1-5-3-4-6(2)7(5)8/h1,3-4H2,2H3
InChIKeyNSZVZIUKHVTPKF-UHFFFAOYSA-N
MW128.60 g/mol
LogP2.85
Rot. Bonds

About 2-chloro-1-methyl-3-methylidenecyclopentene

2-chloro-1-methyl-3-methylidenecyclopentene (PubChem CID 21138319) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-methylidenecyclopentene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-methylidenecyclopentene
PubChem CID21138319
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name2-chloro-1-methyl-3-methylidenecyclopentene
SMILESC=C1CCC(C)=C1Cl
InChIInChI=1S/C7H9Cl/c1-5-3-4-6(2)7(5)8/h1,3-4H2,2H3
InChIKeyNSZVZIUKHVTPKF-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Chloro-1-methyl-3-methylidenecyclohexene
CID 21138318
1-Chloro-2-methylcyclopentene
CID 12611388
4,4-Dichloro-1-methylcyclopent-1-ene
CID 13130413
1-Chloro-4-methylcyclopenta-1,3-diene
CID 15148891
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene
CID 18737558
2,4-Dichloro-1-ethylcyclohexa-1,3-diene
CID 19096890
2-Butyl-1-chlorocyclohexa-1,3-diene
CID 19775350
4-Chloro-1,2-dimethylcyclohexa-1,3-diene
CID 20138736
2,4-Dichloro-1-methylcyclohexa-1,3-diene
CID 20252545
1-Chloro-4-methylcyclohexa-1,3-diene
CID 20511479
2-Chloro-1-methyl-3-methylidenecyclobutene
CID 20600468
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene
CID 21351130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-methylidenecyclopentene?
The IUPAC name of 2-chloro-1-methyl-3-methylidenecyclopentene (CID 21138319) is 2-chloro-1-methyl-3-methylidenecyclopentene.
What is the SMILES notation for 2-chloro-1-methyl-3-methylidenecyclopentene?
The canonical SMILES for 2-chloro-1-methyl-3-methylidenecyclopentene is C=C1CCC(C)=C1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-methylidenecyclopentene?
The InChIKey is NSZVZIUKHVTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl/c1-5-3-4-6(2)7(5)8/h1,3-4H2,2H3.
What are the key properties of 2-chloro-1-methyl-3-methylidenecyclopentene?
2-chloro-1-methyl-3-methylidenecyclopentene has a molecular weight of 128.60 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-methylidenecyclopentene is sourced from PubChem (CID 21138319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).