(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane

C10H14 — CID 134980780

IUPAC(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane
SMILESC=CC1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C10H14/c1-2-8-9-6-3-4-7(5-6)10(8)9/h2,6-10H,1,3-5H2/t6-,7+,8?,9-,10+
InChIKeyPYCSBOKYWURHLI-CSOREYQDSA-N
MW134.22 g/mol
LogP2.46
Rot. Bonds1

About (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane

(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane (PubChem CID 134980780) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane
PubChem CID134980780
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane
SMILESC=CC1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C10H14/c1-2-8-9-6-3-4-7(5-6)10(8)9/h2,6-10H,1,3-5H2/t6-,7+,8?,9-,10+
InChIKeyPYCSBOKYWURHLI-CSOREYQDSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane 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 (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane?
The IUPAC name of (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane (CID 134980780) is (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane is C=CC1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane?
The InChIKey is PYCSBOKYWURHLI-CSOREYQDSA-N. The full InChI is InChI=1S/C10H14/c1-2-8-9-6-3-4-7(5-6)10(8)9/h2,6-10H,1,3-5H2/t6-,7+,8?,9-,10+.
What are the key properties of (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane?
(1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane has a molecular weight of 134.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-3-ethenyltricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 134980780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).