(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene

C11H16 — CID 102232466

IUPAC(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
SMILESC1=C[C@@H]2[C@H](CC1)C[C@H]2C1CC1
InChIInChI=1S/C11H16/c1-2-4-10-9(3-1)7-11(10)8-5-6-8/h2,4,8-11H,1,3,5-7H2/t9-,10-,11+/m1/s1
InChIKeyCVQNCSUIMFYGLM-MXWKQRLJSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds1

About (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene

(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene (PubChem CID 102232466) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene.

Molecular Properties

Compound Name(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
PubChem CID102232466
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
SMILESC1=C[C@@H]2[C@H](CC1)C[C@H]2C1CC1
InChIInChI=1S/C11H16/c1-2-4-10-9(3-1)7-11(10)8-5-6-8/h2,4,8-11H,1,3,5-7H2/t9-,10-,11+/m1/s1
InChIKeyCVQNCSUIMFYGLM-MXWKQRLJSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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 (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene?
The IUPAC name of (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene (CID 102232466) is (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene.
What is the SMILES notation for (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene?
The canonical SMILES for (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene is C1=C[C@@H]2[C@H](CC1)C[C@H]2C1CC1.
What is the InChIKey of (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene?
The InChIKey is CVQNCSUIMFYGLM-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-10-9(3-1)7-11(10)8-5-6-8/h2,4,8-11H,1,3,5-7H2/t9-,10-,11+/m1/s1.
What are the key properties of (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene?
(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene is sourced from PubChem (CID 102232466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).