(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one

C6H9NO2 — CID 101490827

IUPAC(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
SMILESO=C1NCCC[C@H]2O[C@@H]12
InChIInChI=1S/C6H9NO2/c8-6-5-4(9-5)2-1-3-7-6/h4-5H,1-3H2,(H,7,8)/t4-,5-/m1/s1
InChIKeySKOQIODTOXWRCJ-RFZPGFLSSA-N
MW127.14 g/mol
LogP-0.34
Rot. Bonds

About (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one

(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one (PubChem CID 101490827) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one.

Molecular Properties

Compound Name(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
PubChem CID101490827
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
SMILESO=C1NCCC[C@H]2O[C@@H]12
InChIInChI=1S/C6H9NO2/c8-6-5-4(9-5)2-1-3-7-6/h4-5H,1-3H2,(H,7,8)/t4-,5-/m1/s1
InChIKeySKOQIODTOXWRCJ-RFZPGFLSSA-N
XLogP-0.34
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
(1S)-7-oxabicyclo[4.1.0]heptan-2-one
CID 142166614
3-trimethylsilylpiperidin-2-one
CID 46210483
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
3-(azocan-1-yl)piperidin-2-one
CID 90761480
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
7-oxabicyclo[4.1.0]heptane-2,3-dione
CID 19417833
(1R,5R,6S,7S,8R,12R,13S,14S)-6,7,13,14-tetrahydroxy-15,16-dioxa-3,10-diazatricyclo[10.2.1.15,8]hexadecane-2,9-dione
CID 11001653
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
3-methylazepan-2-one
CID 581216

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one?
The IUPAC name of (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one (CID 101490827) is (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one.
What is the SMILES notation for (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one?
The canonical SMILES for (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one is O=C1NCCC[C@H]2O[C@@H]12.
What is the InChIKey of (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one?
The InChIKey is SKOQIODTOXWRCJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-5-4(9-5)2-1-3-7-6/h4-5H,1-3H2,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one?
(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one is sourced from PubChem (CID 101490827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).