3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one

C14H17NO2 — CID 139809899

IUPAC3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1C2CCC(C2)C(O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13-11-6-7-12(8-11)14(17)15(13)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2
InChIKeyIBGZXFRCAIVRSK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds2

About 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one

3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 139809899) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
PubChem CID139809899
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1C2CCC(C2)C(O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13-11-6-7-12(8-11)14(17)15(13)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2
InChIKeyIBGZXFRCAIVRSK-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
2-benzyl-4-hydroxyimino-2-azabicyclo[3.2.1]octan-3-one
CID 86201444
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
(1S,4S,5S,6S)-2-benzyl-4-chloro-6-hydroxy-2-azabicyclo[3.3.1]nonan-3-one
CID 100971707
2-benzyl-6-methylidene-2-azabicyclo[2.2.1]heptan-3-one
CID 59730616
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 134931077
1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one
CID 14776783
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one (CID 139809899) is 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one is O=C1C2CCC(C2)C(O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is IBGZXFRCAIVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-11-6-7-12(8-11)14(17)15(13)9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2.
What are the key properties of 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one?
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 139809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).