(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene

C8H10 — CID 152869683

IUPAC(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene
SMILESCC1=C=CC[C@H]2CC12
InChIInChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2,7-8H,4-5H2,1H3/t7-,8?/m0/s1
InChIKeyTZDRFAXABTWYOS-JAMMHHFISA-N
MW106.17 g/mol
LogP2.13
Rot. Bonds

About (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene

(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene (PubChem CID 152869683) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene.

Molecular Properties

Compound Name(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene
PubChem CID152869683
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene
SMILESCC1=C=CC[C@H]2CC12
InChIInChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2,7-8H,4-5H2,1H3/t7-,8?/m0/s1
InChIKeyTZDRFAXABTWYOS-JAMMHHFISA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene?
The IUPAC name of (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene (CID 152869683) is (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene.
What is the SMILES notation for (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene?
The canonical SMILES for (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene is CC1=C=CC[C@H]2CC12.
What is the InChIKey of (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene?
The InChIKey is TZDRFAXABTWYOS-JAMMHHFISA-N. The full InChI is InChI=1S/C8H10/c1-6-3-2-4-7-5-8(6)7/h2,7-8H,4-5H2,1H3/t7-,8?/m0/s1.
What are the key properties of (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene?
(6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene has a molecular weight of 106.17 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methylbicyclo[4.1.0]hepta-2,3-diene is sourced from PubChem (CID 152869683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).