(2S,4R)-tricyclo[3.2.2.02,4]nonane

C9H14 — CID 638059

IUPAC(2S,4R)-tricyclo[3.2.2.02,4]nonane
SMILESC1CC2CCC1[C@H]1C[C@@H]21
InChIInChI=1S/C9H14/c1-2-7-4-3-6(1)8-5-9(7)8/h6-9H,1-5H2/t6?,7?,8-,9+
InChIKeyWNYJJKBPJRYWNZ-WZENYGAOSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About (2S,4R)-tricyclo[3.2.2.02,4]nonane

(2S,4R)-tricyclo[3.2.2.02,4]nonane (PubChem CID 638059) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (2S,4R)-tricyclo[3.2.2.02,4]nonane.

Molecular Properties

Compound Name(2S,4R)-tricyclo[3.2.2.02,4]nonane
PubChem CID638059
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(2S,4R)-tricyclo[3.2.2.02,4]nonane
SMILESC1CC2CCC1[C@H]1C[C@@H]21
InChIInChI=1S/C9H14/c1-2-7-4-3-6(1)8-5-9(7)8/h6-9H,1-5H2/t6?,7?,8-,9+
InChIKeyWNYJJKBPJRYWNZ-WZENYGAOSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S,4R)-tricyclo[3.2.2.02,4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-tricyclo[3.2.2.02,4]nonane?
The IUPAC name of (2S,4R)-tricyclo[3.2.2.02,4]nonane (CID 638059) is (2S,4R)-tricyclo[3.2.2.02,4]nonane.
What is the SMILES notation for (2S,4R)-tricyclo[3.2.2.02,4]nonane?
The canonical SMILES for (2S,4R)-tricyclo[3.2.2.02,4]nonane is C1CC2CCC1[C@H]1C[C@@H]21.
What is the InChIKey of (2S,4R)-tricyclo[3.2.2.02,4]nonane?
The InChIKey is WNYJJKBPJRYWNZ-WZENYGAOSA-N. The full InChI is InChI=1S/C9H14/c1-2-7-4-3-6(1)8-5-9(7)8/h6-9H,1-5H2/t6?,7?,8-,9+.
What are the key properties of (2S,4R)-tricyclo[3.2.2.02,4]nonane?
(2S,4R)-tricyclo[3.2.2.02,4]nonane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-tricyclo[3.2.2.02,4]nonane is sourced from PubChem (CID 638059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).