2-methylidenebicyclo[3.3.1]nonane

C10H16 — CID 12935668

IUPAC2-methylidenebicyclo[3.3.1]nonane
SMILESC=C1CCC2CCCC1C2
InChIInChI=1S/C10H16/c1-8-5-6-9-3-2-4-10(8)7-9/h9-10H,1-7H2
InChIKeyWYSYRGOYGZBCLG-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2-methylidenebicyclo[3.3.1]nonane

2-methylidenebicyclo[3.3.1]nonane (PubChem CID 12935668) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methylidenebicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-methylidenebicyclo[3.3.1]nonane
PubChem CID12935668
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methylidenebicyclo[3.3.1]nonane
SMILESC=C1CCC2CCCC1C2
InChIInChI=1S/C10H16/c1-8-5-6-9-3-2-4-10(8)7-9/h9-10H,1-7H2
InChIKeyWYSYRGOYGZBCLG-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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 2-methylidenebicyclo[3.3.1]nonane?
The IUPAC name of 2-methylidenebicyclo[3.3.1]nonane (CID 12935668) is 2-methylidenebicyclo[3.3.1]nonane.
What is the SMILES notation for 2-methylidenebicyclo[3.3.1]nonane?
The canonical SMILES for 2-methylidenebicyclo[3.3.1]nonane is C=C1CCC2CCCC1C2.
What is the InChIKey of 2-methylidenebicyclo[3.3.1]nonane?
The InChIKey is WYSYRGOYGZBCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-5-6-9-3-2-4-10(8)7-9/h9-10H,1-7H2.
What are the key properties of 2-methylidenebicyclo[3.3.1]nonane?
2-methylidenebicyclo[3.3.1]nonane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebicyclo[3.3.1]nonane is sourced from PubChem (CID 12935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).