(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one

C8H11NO2 — CID 11137359

IUPAC(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one
SMILESO=C1O[C@H]2CCN3CC[C@@H]1[C@@H]23
InChIInChI=1S/C8H11NO2/c10-8-5-1-3-9-4-2-6(11-8)7(5)9/h5-7H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyRYWDCLFOABOLBP-VQVTYTSYSA-N
MW153.18 g/mol
LogP0.01
Rot. Bonds

About (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one

(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one (PubChem CID 11137359) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one.

Molecular Properties

Compound Name(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one
PubChem CID11137359
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one
SMILESO=C1O[C@H]2CCN3CC[C@@H]1[C@@H]23
InChIInChI=1S/C8H11NO2/c10-8-5-1-3-9-4-2-6(11-8)7(5)9/h5-7H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyRYWDCLFOABOLBP-VQVTYTSYSA-N
XLogP0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810
(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,4R,5S,6R,10S,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
CID 5320938
(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
CID 134714998
8-amino-6-oxabicyclo[3.2.1]octan-7-one
CID 72998660
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
CID 10352283
(1R,5S)-6-oxabicyclo[3.2.0]heptane-3,7-dione
CID 126970387
(1S,2S,6R,7R)-8-oxatricyclo[5.2.2.02,6]undecan-9-one
CID 101453700
(1S,3S,6S,7R)-4-oxatricyclo[4.3.1.03,7]decan-5-one
CID 98385974
4-oxatricyclo[4.3.0.03,8]nonan-5-one
CID 18336320

Frequently Asked Questions

What is the IUPAC name of (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one?
The IUPAC name of (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one (CID 11137359) is (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one.
What is the SMILES notation for (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one?
The canonical SMILES for (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one is O=C1O[C@H]2CCN3CC[C@@H]1[C@@H]23.
What is the InChIKey of (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one?
The InChIKey is RYWDCLFOABOLBP-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-5-1-3-9-4-2-6(11-8)7(5)9/h5-7H,1-4H2/t5-,6+,7+/m1/s1.
What are the key properties of (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one?
(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one is sourced from PubChem (CID 11137359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).