2-methylbicyclo[4.1.0]hepta-2,4-diene

C8H10 — CID 123235064

IUPAC2-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2CC12
InChIInChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2-4,7-8H,5H2,1H3
InChIKeyPZPBWWRZFYYGTL-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds

About 2-methylbicyclo[4.1.0]hepta-2,4-diene

2-methylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 123235064) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 2-methylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-methylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID123235064
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name2-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2CC12
InChIInChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2-4,7-8H,5H2,1H3
InChIKeyPZPBWWRZFYYGTL-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methylbicyclo[4.1.0]hepta-2,4-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

4-methyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 54462445
2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene
CID 143952682
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole
CID 134492848
1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine
CID 143318407
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane
CID 140664509
5-methyl-3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 138478027
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan
CID 143157689
1,5-dimethyl-4aH-benzo[7]annulene
CID 91554041
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
2-[(Z)-1-[1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)ethenylsulfanyl]prop-1-enyl]-5-methylthiophene
CID 143802784

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-methylbicyclo[4.1.0]hepta-2,4-diene (CID 123235064) is 2-methylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-methylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-methylbicyclo[4.1.0]hepta-2,4-diene is CC1=CC=CC2CC12.
What is the InChIKey of 2-methylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is PZPBWWRZFYYGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2-4,7-8H,5H2,1H3.
What are the key properties of 2-methylbicyclo[4.1.0]hepta-2,4-diene?
2-methylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 106.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 123235064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).