1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene

C13H14 — CID 156752582

IUPAC1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C(C)=CC=C1C1=CC(C)=CC1
InChIInChI=1S/C13H14/c1-9-4-6-12(8-9)13-7-5-10(2)11(13)3/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCPKUHXIVTGAGKH-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.71
Rot. Bonds1

About 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene

1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene (PubChem CID 156752582) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene
PubChem CID156752582
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C(C)=CC=C1C1=CC(C)=CC1
InChIInChI=1S/C13H14/c1-9-4-6-12(8-9)13-7-5-10(2)11(13)3/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCPKUHXIVTGAGKH-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethylcyclopenta-1,3-diene;zirconium
CID 73422733
1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene
CID 21261243
1-iodo-3-methylcyclopenta-1,3-diene
CID 145094237
bicyclo[2.2.0]hexa-1,4-diene
CID 86017277
1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
CID 68553110
2-bromo-1,3,5-trimethylcyclohepta-1,3,5-triene
CID 142255845
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
CID 143259643
sodium;hydride;(3-methylcyclopenta-1,3-dien-1-yl)silane
CID 173341629
5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 13265824
N-tert-butyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 23015455
2-(3,5-dimethylcyclohepta-1,3,5-trien-1-yl)-3-(3,5-dimethylphenyl)benzo[g]quinoxaline
CID 155365452
1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 159649254

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene (CID 156752582) is 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene is C=C1C(C)=CC=C1C1=CC(C)=CC1.
What is the InChIKey of 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene?
The InChIKey is CPKUHXIVTGAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-9-4-6-12(8-9)13-7-5-10(2)11(13)3/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene?
1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene has a molecular weight of 170.25 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 156752582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).