azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

C10H16N2O2 — CID 164661076

IUPACazetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCN1)N1C2CCC1COC2
InChIInChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-7-1-2-8(12)6-14-5-7/h7-9,11H,1-6H2
InChIKeyDNYSHQBGRBDKPM-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds1

About azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 164661076) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Nameazetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID164661076
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameazetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCN1)N1C2CCC1COC2
InChIInChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-7-1-2-8(12)6-14-5-7/h7-9,11H,1-6H2
InChIKeyDNYSHQBGRBDKPM-UHFFFAOYSA-N
XLogP-0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
CID 146602397
[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
CID 130636739
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
9-(pyrrolidine-2-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 119335990
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-2-yl)methanone
CID 121202091
tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
CID 67354905
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 131086476
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427

Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 164661076) is azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(C1CCN1)N1C2CCC1COC2.
What is the InChIKey of azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is DNYSHQBGRBDKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-7-1-2-8(12)6-14-5-7/h7-9,11H,1-6H2.
What are the key properties of azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 164661076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).