1-methylbicyclo[4.2.1]nona-2,4,7-triene

C10H12 — CID 71389373

IUPAC1-methylbicyclo[4.2.1]nona-2,4,7-triene
SMILESCC12C=CC=CC(C=C1)C2
InChIInChI=1S/C10H12/c1-10-6-3-2-4-9(8-10)5-7-10/h2-7,9H,8H2,1H3
InChIKeyHPLGREULFUSWHM-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.69
Rot. Bonds

About 1-methylbicyclo[4.2.1]nona-2,4,7-triene

1-methylbicyclo[4.2.1]nona-2,4,7-triene (PubChem CID 71389373) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-methylbicyclo[4.2.1]nona-2,4,7-triene.

Molecular Properties

Compound Name1-methylbicyclo[4.2.1]nona-2,4,7-triene
PubChem CID71389373
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-methylbicyclo[4.2.1]nona-2,4,7-triene
SMILESCC12C=CC=CC(C=C1)C2
InChIInChI=1S/C10H12/c1-10-6-3-2-4-9(8-10)5-7-10/h2-7,9H,8H2,1H3
InChIKeyHPLGREULFUSWHM-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.69
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 1-methylbicyclo[4.2.1]nona-2,4,7-triene?
The IUPAC name of 1-methylbicyclo[4.2.1]nona-2,4,7-triene (CID 71389373) is 1-methylbicyclo[4.2.1]nona-2,4,7-triene.
What is the SMILES notation for 1-methylbicyclo[4.2.1]nona-2,4,7-triene?
The canonical SMILES for 1-methylbicyclo[4.2.1]nona-2,4,7-triene is CC12C=CC=CC(C=C1)C2.
What is the InChIKey of 1-methylbicyclo[4.2.1]nona-2,4,7-triene?
The InChIKey is HPLGREULFUSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-10-6-3-2-4-9(8-10)5-7-10/h2-7,9H,8H2,1H3.
What are the key properties of 1-methylbicyclo[4.2.1]nona-2,4,7-triene?
1-methylbicyclo[4.2.1]nona-2,4,7-triene has a molecular weight of 132.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[4.2.1]nona-2,4,7-triene is sourced from PubChem (CID 71389373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).