3-methylidenetricyclo[3.2.1.02,4]oct-6-ene

C9H10 — CID 576037

IUPAC3-methylidenetricyclo[3.2.1.02,4]oct-6-ene
SMILESC=C1C2C3C=CC(C3)C12
InChIInChI=1S/C9H10/c1-5-8-6-2-3-7(4-6)9(5)8/h2-3,6-9H,1,4H2
InChIKeySILIFYUSYIFKDQ-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.99
Rot. Bonds

About 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene

3-methylidenetricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 576037) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name3-methylidenetricyclo[3.2.1.02,4]oct-6-ene
PubChem CID576037
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name3-methylidenetricyclo[3.2.1.02,4]oct-6-ene
SMILESC=C1C2C3C=CC(C3)C12
InChIInChI=1S/C9H10/c1-5-8-6-2-3-7(4-6)9(5)8/h2-3,6-9H,1,4H2
InChIKeySILIFYUSYIFKDQ-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene (CID 576037) is 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene is C=C1C2C3C=CC(C3)C12.
What is the InChIKey of 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is SILIFYUSYIFKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-5-8-6-2-3-7(4-6)9(5)8/h2-3,6-9H,1,4H2.
What are the key properties of 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene?
3-methylidenetricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 118.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenetricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 576037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).