(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one

C7H9NO2 — CID 139684779

IUPAC(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one
SMILESC=C1CCN2C(=O)C[C@H]2O1
InChIInChI=1S/C7H9NO2/c1-5-2-3-8-6(9)4-7(8)10-5/h7H,1-4H2/t7-/m1/s1
InChIKeyOPQUVBWLEHZGPG-SSDOTTSWSA-N
MW139.15 g/mol
LogP0.48
Rot. Bonds

About (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one

(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one (PubChem CID 139684779) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one
PubChem CID139684779
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one
SMILESC=C1CCN2C(=O)C[C@H]2O1
InChIInChI=1S/C7H9NO2/c1-5-2-3-8-6(9)4-7(8)10-5/h7H,1-4H2/t7-/m1/s1
InChIKeyOPQUVBWLEHZGPG-SSDOTTSWSA-N
XLogP0.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-4-methyl-5-oxa-1-azabicyclo[4.2.0]octan-8-one
CID 131850337
1-azabicyclo[3.2.0]heptane-4,7-dione
CID 19420326
3-methylidene-5-piperidin-1-yloxolan-2-one
CID 175578378
(3R,5S)-3-(iodomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 131856757
1-(2-oxocyclohexyl)azetidin-2-one
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1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one
CID 155935570
1-methylpyrrolidin-2-one;oxetane
CID 170438379
1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one
CID 101038006
1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 22855921
4-bromo-7-hydroxy-2a,8-dihydro-2H-azeto[2,1-b][1,3]benzoxazin-1-one
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CID 131866551

Frequently Asked Questions

What is the IUPAC name of (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one (CID 139684779) is (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one is C=C1CCN2C(=O)C[C@H]2O1.
What is the InChIKey of (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one?
The InChIKey is OPQUVBWLEHZGPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-3-8-6(9)4-7(8)10-5/h7H,1-4H2/t7-/m1/s1.
What are the key properties of (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one?
(6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one has a molecular weight of 139.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-methylidene-5-oxa-1-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 139684779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).