(1R,5S)-3-azabicyclo[3.2.1]octan-2-one

C7H11NO — CID 14813870

IUPAC(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NC[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1
InChIKeyVIJCSXWSAGILRP-NTSWFWBYSA-N
MW125.17 g/mol
LogP0.53
Rot. Bonds

About (1R,5S)-3-azabicyclo[3.2.1]octan-2-one

(1R,5S)-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 14813870) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
PubChem CID14813870
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NC[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1
InChIKeyVIJCSXWSAGILRP-NTSWFWBYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-azabicyclo[3.1.1]heptan-2-one
CID 73425066
(3S)-3-(methylamino)azetidin-2-one
CID 118915758
3-hydroxybicyclo[3.2.1]octan-2-one
CID 130037946
6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one
CID 72990723
(3R)-3-hydroxyazetidin-2-one
CID 97184618
3-(ethylamino)azetidin-2-one
CID 123769007
4-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 66804290
3,6-diazabicyclo[3.2.2]nonan-7-one;hydrochloride
CID 167716973
(1S,4S,5S)-4-iodo-6-azabicyclo[3.2.1]octan-7-one
CID 11514335
(1R,5S,6S)-4-oxo-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 98908289
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5S)-3-azabicyclo[3.2.1]octan-2-one (CID 14813870) is (1R,5S)-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.2.1]octan-2-one is O=C1NC[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is VIJCSXWSAGILRP-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of (1R,5S)-3-azabicyclo[3.2.1]octan-2-one?
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 14813870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).