(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one

C5H6O2 — CID 10898651

IUPAC(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2C[C@@H]12
InChIInChI=1S/C5H6O2/c6-5-4-1-3(4)2-7-5/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKeyPNEPXIIVGHYESL-QWWZWVQMSA-N
MW98.10 g/mol
LogP0.18
Rot. Bonds

About (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one

(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 10898651) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID10898651
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2C[C@@H]12
InChIInChI=1S/C5H6O2/c6-5-4-1-3(4)2-7-5/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKeyPNEPXIIVGHYESL-QWWZWVQMSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one (CID 10898651) is (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OC[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is PNEPXIIVGHYESL-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H6O2/c6-5-4-1-3(4)2-7-5/h3-4H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one?
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 98.10 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10898651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).