(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one

C10H15NO — CID 102300255

IUPAC(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
SMILESO=C1CC[C@@H]2CCC[C@@H]3C[C@@H]3N12
InChIInChI=1S/C10H15NO/c12-10-5-4-8-3-1-2-7-6-9(7)11(8)10/h7-9H,1-6H2/t7-,8+,9+/m1/s1
InChIKeyFRPLFAJJMUPJED-VGMNWLOBSA-N
MW165.24 g/mol
LogP1.55
Rot. Bonds

About (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one

(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one (PubChem CID 102300255) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one.

Molecular Properties

Compound Name(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
PubChem CID102300255
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
SMILESO=C1CC[C@@H]2CCC[C@@H]3C[C@@H]3N12
InChIInChI=1S/C10H15NO/c12-10-5-4-8-3-1-2-7-6-9(7)11(8)10/h7-9H,1-6H2/t7-,8+,9+/m1/s1
InChIKeyFRPLFAJJMUPJED-VGMNWLOBSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67462914
(5S,9aR)-5-methoxy-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 102314656
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
(3aR)-1-(azepan-4-yl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 143591945
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11367214
6-cyclobutyl-6-azabicyclo[3.2.0]heptane
CID 130669812
(5R,8aR)-7-chloro-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 13466918
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
CID 166438548
1-cyclopropyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115013568
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclohexan-1-one
CID 114762248

Frequently Asked Questions

What is the IUPAC name of (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one?
The IUPAC name of (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one (CID 102300255) is (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one.
What is the SMILES notation for (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one?
The canonical SMILES for (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one is O=C1CC[C@@H]2CCC[C@@H]3C[C@@H]3N12.
What is the InChIKey of (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one?
The InChIKey is FRPLFAJJMUPJED-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-5-4-8-3-1-2-7-6-9(7)11(8)10/h7-9H,1-6H2/t7-,8+,9+/m1/s1.
What are the key properties of (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one?
(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one has a molecular weight of 165.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one is sourced from PubChem (CID 102300255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).