9-methylbicyclo[6.1.0]non-4-yne

C10H14 — CID 123248362

IUPAC9-methylbicyclo[6.1.0]non-4-yne
SMILESCC1C2CCC#CCCC12
InChIInChI=1S/C10H14/c1-8-9-6-4-2-3-5-7-10(8)9/h8-10H,4-7H2,1H3
InChIKeyGMXMQEDFSULKPU-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.45
Rot. Bonds

About 9-methylbicyclo[6.1.0]non-4-yne

9-methylbicyclo[6.1.0]non-4-yne (PubChem CID 123248362) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 9-methylbicyclo[6.1.0]non-4-yne.

Molecular Properties

Compound Name9-methylbicyclo[6.1.0]non-4-yne
PubChem CID123248362
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name9-methylbicyclo[6.1.0]non-4-yne
SMILESCC1C2CCC#CCCC12
InChIInChI=1S/C10H14/c1-8-9-6-4-2-3-5-7-10(8)9/h8-10H,4-7H2,1H3
InChIKeyGMXMQEDFSULKPU-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylbicyclo[6.1.0]non-4-yne?
The IUPAC name of 9-methylbicyclo[6.1.0]non-4-yne (CID 123248362) is 9-methylbicyclo[6.1.0]non-4-yne.
What is the SMILES notation for 9-methylbicyclo[6.1.0]non-4-yne?
The canonical SMILES for 9-methylbicyclo[6.1.0]non-4-yne is CC1C2CCC#CCCC12.
What is the InChIKey of 9-methylbicyclo[6.1.0]non-4-yne?
The InChIKey is GMXMQEDFSULKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-9-6-4-2-3-5-7-10(8)9/h8-10H,4-7H2,1H3.
What are the key properties of 9-methylbicyclo[6.1.0]non-4-yne?
9-methylbicyclo[6.1.0]non-4-yne has a molecular weight of 134.22 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylbicyclo[6.1.0]non-4-yne is sourced from PubChem (CID 123248362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).