4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene

C11H12 — CID 123835072

IUPAC4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene
SMILESC=CC1=CC=C2CC2(C)C=C1
InChIInChI=1S/C11H12/c1-3-9-4-5-10-8-11(10,2)7-6-9/h3-7H,1,8H2,2H3
InChIKeyAIRSGIFKOXQMQD-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.01
Rot. Bonds1

About 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene

4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene (PubChem CID 123835072) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene.

Molecular Properties

Compound Name4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene
PubChem CID123835072
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene
SMILESC=CC1=CC=C2CC2(C)C=C1
InChIInChI=1S/C11H12/c1-3-9-4-5-10-8-11(10,2)7-6-9/h3-7H,1,8H2,2H3
InChIKeyAIRSGIFKOXQMQD-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene 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-(7-methyl-4-bicyclo[5.1.0]octa-1,3,5-trienyl)prop-2-en-1-one
CID 90953514
3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene
CID 145465455
1-(chloromethyl)-4-ethenylcyclohepta-1,3,5-triene
CID 145346186
1-N-[(4-ethenylcyclohepta-1,3,5-trien-1-yl)methyl]-2-N-[(4-ethenyl-1-methylcyclohepta-2,4,6-trien-1-yl)methyl]-2-N-(2-methylpropyl)propane-1,2-diamine
CID 145346182
2-ethenyl-5,5-diisocyanatocyclohexa-1,3-diene
CID 175134482
(1S,3aS,7aR)-1-ethenyl-7a-methyl-5-propan-2-ylidene-1,3,3a,4-tetrahydro-2-benzofuran
CID 15385843
6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
CID 147217206
6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
CID 142020152
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
6,7-bis(ethenyl)-3,3-dimethylazepine;ethane
CID 142022786
3-ethenyl-4,4-dimethylcyclohexa-2,5-dien-1-one
CID 101379478
3-ethenyl-1-ethylcyclopenta-1,3-diene
CID 18798361

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene?
The IUPAC name of 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene (CID 123835072) is 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene.
What is the SMILES notation for 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene?
The canonical SMILES for 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene is C=CC1=CC=C2CC2(C)C=C1.
What is the InChIKey of 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene?
The InChIKey is AIRSGIFKOXQMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-3-9-4-5-10-8-11(10,2)7-6-9/h3-7H,1,8H2,2H3.
What are the key properties of 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene?
4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene has a molecular weight of 144.22 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-7-methylbicyclo[5.1.0]octa-1,3,5-triene is sourced from PubChem (CID 123835072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).