(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one

C14H20O2 — CID 161069334

IUPAC(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@H]2CCC[C@H]12.O=C1C[C@H]2CCC[C@@H]12
InChIInChI=1S/2C7H10O/c2*8-7-4-5-2-1-3-6(5)7/h2*5-6H,1-4H2/t2*5-,6-/m10/s1
InChIKeyUELIWBQVGZMZGL-JLCFLTIHSA-N
MW220.31 g/mol
LogP2.75
Rot. Bonds

About (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one

(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one (PubChem CID 161069334) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
PubChem CID161069334
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@H]2CCC[C@H]12.O=C1C[C@H]2CCC[C@@H]12
InChIInChI=1S/2C7H10O/c2*8-7-4-5-2-1-3-6(5)7/h2*5-6H,1-4H2/t2*5-,6-/m10/s1
InChIKeyUELIWBQVGZMZGL-JLCFLTIHSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one (CID 161069334) is (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one is O=C1C[C@@H]2CCC[C@H]12.O=C1C[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one?
The InChIKey is UELIWBQVGZMZGL-JLCFLTIHSA-N. The full InChI is InChI=1S/2C7H10O/c2*8-7-4-5-2-1-3-6(5)7/h2*5-6H,1-4H2/t2*5-,6-/m10/s1.
What are the key properties of (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one?
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one has a molecular weight of 220.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 161069334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).