8-amino-6-oxabicyclo[3.2.1]octan-7-one

C7H11NO2 — CID 72998660

IUPAC8-amino-6-oxabicyclo[3.2.1]octan-7-one
SMILESNC1C2CCCC1C(=O)O2
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)10-7(4)9/h4-6H,1-3,8H2
InChIKeyONQZBEVZCKMGKU-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.04
Rot. Bonds

About 8-amino-6-oxabicyclo[3.2.1]octan-7-one

8-amino-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 72998660) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 8-amino-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name8-amino-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID72998660
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name8-amino-6-oxabicyclo[3.2.1]octan-7-one
SMILESNC1C2CCCC1C(=O)O2
InChIInChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)10-7(4)9/h4-6H,1-3,8H2
InChIKeyONQZBEVZCKMGKU-UHFFFAOYSA-N
XLogP0.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
CID 101342521
(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
CID 101405571
(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
CID 28765601
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
CID 10352283
(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
CID 57255921
(3S,3aS,8aS)-3-amino-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
CID 57462564
(1S,2S,6R,7R)-8-oxatricyclo[5.2.2.02,6]undecan-9-one
CID 101453700
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810
(1R,5S)-6-oxabicyclo[3.2.0]heptane-3,7-dione
CID 126970387
(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one
CID 11137359
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;hydrazine
CID 159173546
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of 8-amino-6-oxabicyclo[3.2.1]octan-7-one (CID 72998660) is 8-amino-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 8-amino-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 8-amino-6-oxabicyclo[3.2.1]octan-7-one is NC1C2CCCC1C(=O)O2.
What is the InChIKey of 8-amino-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is ONQZBEVZCKMGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)10-7(4)9/h4-6H,1-3,8H2.
What are the key properties of 8-amino-6-oxabicyclo[3.2.1]octan-7-one?
8-amino-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 141.17 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 72998660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).