(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one

C8H12O — CID 129403940

IUPAC(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@@H]1C[C@H]2C(=O)CC[C@H]12
InChIInChI=1S/C8H12O/c1-5-4-7-6(5)2-3-8(7)9/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyLFFHYMMJLNEHLM-FSDSQADBSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds

About (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one

(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one (PubChem CID 129403940) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
PubChem CID129403940
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@@H]1C[C@H]2C(=O)CC[C@H]12
InChIInChI=1S/C8H12O/c1-5-4-7-6(5)2-3-8(7)9/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyLFFHYMMJLNEHLM-FSDSQADBSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one (CID 129403940) is (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one is C[C@@H]1C[C@H]2C(=O)CC[C@H]12.
What is the InChIKey of (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one?
The InChIKey is LFFHYMMJLNEHLM-FSDSQADBSA-N. The full InChI is InChI=1S/C8H12O/c1-5-4-7-6(5)2-3-8(7)9/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one?
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one has a molecular weight of 124.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 129403940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).