(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione

C9H12O2 — CID 130906162

IUPAC(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
SMILESC[C@]12CC[C@H]1C(=O)CCC2=O
InChIInChI=1S/C9H12O2/c1-9-5-4-6(9)7(10)2-3-8(9)11/h6H,2-5H2,1H3/t6-,9-/m0/s1
InChIKeyUMJOTSOXLNWHTM-RCOVLWMOSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds

About (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione

(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione (PubChem CID 130906162) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione.

Molecular Properties

Compound Name(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
PubChem CID130906162
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
SMILESC[C@]12CC[C@H]1C(=O)CCC2=O
InChIInChI=1S/C9H12O2/c1-9-5-4-6(9)7(10)2-3-8(9)11/h6H,2-5H2,1H3/t6-,9-/m0/s1
InChIKeyUMJOTSOXLNWHTM-RCOVLWMOSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione with MolForge

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Related Compounds

(1aR,3aS,7aS,7bR)-1,1,3a-trimethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene-4,7-dione
CID 15385781
(3aR,7aR)-7a-methyl-4-methylidene-3,3a,6,7-tetrahydro-2H-indene-1,5-dione
CID 130992542
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 557031
3-bromo-2,2-dimethylcyclohexane-1,4-dione
CID 154728965
5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 130029475
(2aR,5aR,9aS)-5a-methyl-2,2a,4,5,6,7,8,9-octahydro-1H-cyclobuta[j]naphthalen-3-one
CID 14759938
(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11041651
(2R,4aS)-2,4a-dimethyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 143295231
(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione
CID 10536868
2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180
(1R,4S)-7-chloro-1-methylbicyclo[2.2.1]heptan-2-one
CID 131025350

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione?
The IUPAC name of (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione (CID 130906162) is (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione.
What is the SMILES notation for (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione?
The canonical SMILES for (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione is C[C@]12CC[C@H]1C(=O)CCC2=O.
What is the InChIKey of (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione?
The InChIKey is UMJOTSOXLNWHTM-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H12O2/c1-9-5-4-6(9)7(10)2-3-8(9)11/h6H,2-5H2,1H3/t6-,9-/m0/s1.
What are the key properties of (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione?
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione has a molecular weight of 152.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione is sourced from PubChem (CID 130906162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).