(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one

C8H10O — CID 12534165

IUPAC(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one
SMILESC=C[C@@H]1[C@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C8H10O/c1-2-5-6-3-4-7(9)8(5)6/h2,5-6,8H,1,3-4H2/t5-,6-,8+/m1/s1
InChIKeyIJGPTRGYEZQWQS-JKMUOGBPSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds1

About (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one

(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one (PubChem CID 12534165) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one
PubChem CID12534165
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one
SMILESC=C[C@@H]1[C@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C8H10O/c1-2-5-6-3-4-7(9)8(5)6/h2,5-6,8H,1,3-4H2/t5-,6-,8+/m1/s1
InChIKeyIJGPTRGYEZQWQS-JKMUOGBPSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one (CID 12534165) is (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one is C=C[C@@H]1[C@H]2CCC(=O)[C@@H]12.
What is the InChIKey of (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one?
The InChIKey is IJGPTRGYEZQWQS-JKMUOGBPSA-N. The full InChI is InChI=1S/C8H10O/c1-2-5-6-3-4-7(9)8(5)6/h2,5-6,8H,1,3-4H2/t5-,6-,8+/m1/s1.
What are the key properties of (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one?
(1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one has a molecular weight of 122.17 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-ethenylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 12534165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).