(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one

C8H12O — CID 129321356

IUPAC(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@@H]1C[C@H]2CCC(=O)[C@@H]21
InChIInChI=1S/C8H12O/c1-5-4-6-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6-,8-/m1/s1
InChIKeyJRVKKSUVNIDTRJ-ATRFCDNQSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds

About (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one

(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one (PubChem CID 129321356) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
PubChem CID129321356
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
SMILESC[C@@H]1C[C@H]2CCC(=O)[C@@H]21
InChIInChI=1S/C8H12O/c1-5-4-6-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6-,8-/m1/s1
InChIKeyJRVKKSUVNIDTRJ-ATRFCDNQSA-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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Related Compounds

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(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
CID 58906730
(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
(4aS,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 131181852
(3aR,8S,9R,9aS,9bR)-9-but-3-enyl-8-methyl-3,3a,5,6,6a,7,8,9,9a,9b-decahydro-2H-phenalene-1,4-dione
CID 166441727
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
(1S,2S,6S)-2-methylbicyclo[4.2.0]octan-3-one
CID 95564790
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
CID 71434771
dimethyl (1R,2R,4R,8R,9S,10S,11R,12S,13R,17R)-7,14-dioxopentacyclo[10.6.0.02,9.04,8.013,17]octadecane-10,11-dicarboxylate
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(4aS,8aR)-2,9-dimethyl-1,2,3,4a,4b,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-4,5-dione
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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one (CID 129321356) is (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one is C[C@@H]1C[C@H]2CCC(=O)[C@@H]21.
What is the InChIKey of (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one?
The InChIKey is JRVKKSUVNIDTRJ-ATRFCDNQSA-N. The full InChI is InChI=1S/C8H12O/c1-5-4-6-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6-,8-/m1/s1.
What are the key properties of (1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one?
(1R,5R,7R)-7-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,7R)-7-methylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 129321356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).