(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one

C9H13NO2 — CID 10975859

IUPAC(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
SMILESO=C1O[C@@H]2CCN3CCC[C@H]1[C@H]23
InChIInChI=1S/C9H13NO2/c11-9-6-2-1-4-10-5-3-7(12-9)8(6)10/h6-8H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyHTNPTMDPSRAUSI-XLPZGREQSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds

About (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one

(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one (PubChem CID 10975859) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one.

Molecular Properties

Compound Name(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
PubChem CID10975859
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
SMILESO=C1O[C@@H]2CCN3CCC[C@H]1[C@H]23
InChIInChI=1S/C9H13NO2/c11-9-6-2-1-4-10-5-3-7(12-9)8(6)10/h6-8H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyHTNPTMDPSRAUSI-XLPZGREQSA-N
XLogP0.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,7R,8S,11R)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 11412762
(4S,7S,8R,11S)-8-hydroxy-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 11074053
(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
CID 59951938
(4R,7R,11S)-7-chloro-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 11075480
(4R,7S,11R)-5-oxa-1-azoniatricyclo[5.3.1.04,11]undecan-6-one chloride
CID 11790305
(3aR,9aR,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
CID 11991495
(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
CID 11991672
4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
CID 20642512
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810

Frequently Asked Questions

What is the IUPAC name of (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The IUPAC name of (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one (CID 10975859) is (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one.
What is the SMILES notation for (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The canonical SMILES for (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one is O=C1O[C@@H]2CCN3CCC[C@H]1[C@H]23.
What is the InChIKey of (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
The InChIKey is HTNPTMDPSRAUSI-XLPZGREQSA-N. The full InChI is InChI=1S/C9H13NO2/c11-9-6-2-1-4-10-5-3-7(12-9)8(6)10/h6-8H,1-5H2/t6-,7+,8+/m0/s1.
What are the key properties of (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one?
(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one is sourced from PubChem (CID 10975859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).