(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

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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).