2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene

C9H12 — CID 133065156

IUPAC2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene
SMILESCC1=C2CCC(=C1C)C2
InChIInChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h3-5H2,1-2H3
InChIKeyNYAPPKXLNORANH-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.82
Rot. Bonds

About 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene

2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene (PubChem CID 133065156) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene.

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene
PubChem CID133065156
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene
SMILESCC1=C2CCC(=C1C)C2
InChIInChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h3-5H2,1-2H3
InChIKeyNYAPPKXLNORANH-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene?
The IUPAC name of 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene (CID 133065156) is 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene.
What is the SMILES notation for 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene?
The canonical SMILES for 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene is CC1=C2CCC(=C1C)C2.
What is the InChIKey of 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene?
The InChIKey is NYAPPKXLNORANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h3-5H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene?
2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.2.1]hepta-1,3-diene is sourced from PubChem (CID 133065156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).