4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene

C10H12Cl2 — CID 56622158

IUPAC4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene
SMILESC=CCC1C(C)=CCC1=C(Cl)Cl
InChIInChI=1S/C10H12Cl2/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3,5,8H,1,4,6H2,2H3
InChIKeyVZNRZTMWUBSHGI-UHFFFAOYSA-N
MW203.11 g/mol
LogP4.22
Rot. Bonds2

About 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene

4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene (PubChem CID 56622158) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene.

Molecular Properties

Compound Name4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene
PubChem CID56622158
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene
SMILESC=CCC1C(C)=CCC1=C(Cl)Cl
InChIInChI=1S/C10H12Cl2/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3,5,8H,1,4,6H2,2H3
InChIKeyVZNRZTMWUBSHGI-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-(3-methylbut-2-enyl)-5,8-dihydronaphthalene-1,4-diol
CID 72945348
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene
CID 54351521
(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene
CID 145286517
3-ethoxy-2-methyl-5-prop-2-enylcyclohexa-1,3-diene
CID 121419445
3-methyl-2-prop-2-enylcyclohexan-1-ol
CID 71440529
2-prop-2-enylcyclopent-4-ene-1,3-dione
CID 12877518
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
1-(2,3-dimethylbutyl)-2-methyl-3-prop-2-enylcyclopropene
CID 123211117
5-acetyl-4-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
CID 12873325
(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol
CID 138980966
2-ethenylcyclopropan-1-ol
CID 54500145

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene?
The IUPAC name of 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene (CID 56622158) is 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene.
What is the SMILES notation for 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene?
The canonical SMILES for 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene is C=CCC1C(C)=CCC1=C(Cl)Cl.
What is the InChIKey of 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene?
The InChIKey is VZNRZTMWUBSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-3-4-8-7(2)5-6-9(8)10(11)12/h3,5,8H,1,4,6H2,2H3.
What are the key properties of 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene?
4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene has a molecular weight of 203.11 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethylidene)-1-methyl-5-prop-2-enylcyclopentene is sourced from PubChem (CID 56622158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).