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

C7H10O — CID 58906730

IUPAC(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
SMILESC[C@H]1[C@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C7H10O/c1-4-5-2-3-6(8)7(4)5/h4-5,7H,2-3H2,1H3/t4-,5+,7-/m0/s1
InChIKeyYVXIZNNTCDTQQF-BFHQHQDPSA-N
MW110.16 g/mol
LogP1.23
Rot. Bonds

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

(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one (PubChem CID 58906730) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
PubChem CID58906730
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
SMILESC[C@H]1[C@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C7H10O/c1-4-5-2-3-6(8)7(4)5/h4-5,7H,2-3H2,1H3/t4-,5+,7-/m0/s1
InChIKeyYVXIZNNTCDTQQF-BFHQHQDPSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
6-propylbicyclo[3.1.0]hexan-2-one
CID 69061464
(1S,5S)-6,7-dichlorobicyclo[3.2.0]heptan-2-one
CID 10726026
(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
CID 89135582
(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
CID 124585030
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 14045037
(2R,3R,3aS,7S,7aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10357243
methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130877712
(3aR,4R,7S)-4-methyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 58067883

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one (CID 58906730) is (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one is C[C@H]1[C@H]2CCC(=O)[C@@H]12.
What is the InChIKey of (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one?
The InChIKey is YVXIZNNTCDTQQF-BFHQHQDPSA-N. The full InChI is InChI=1S/C7H10O/c1-4-5-2-3-6(8)7(4)5/h4-5,7H,2-3H2,1H3/t4-,5+,7-/m0/s1.
What are the key properties of (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one?
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 58906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).