5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane

C12H15NO — CID 16638341

IUPAC5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1ccc(CN2CC3CC2CO3)cc1
InChIInChI=1S/C12H15NO/c1-2-4-10(5-3-1)7-13-8-12-6-11(13)9-14-12/h1-5,11-12H,6-9H2
InChIKeyREVMUFHYPGBWBP-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.66
Rot. Bonds2

About 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane

5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 16638341) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID16638341
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1ccc(CN2CC3CC2CO3)cc1
InChIInChI=1S/C12H15NO/c1-2-4-10(5-3-1)7-13-8-12-6-11(13)9-14-12/h1-5,11-12H,6-9H2
InChIKeyREVMUFHYPGBWBP-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)aniline
CID 84777943
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)aniline
CID 84777945
2-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]benzonitrile
CID 89497537
2-methyl-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)benzaldehyde
CID 143797084
(1R,4R)-5-[(4-bromo-2,3-difluorophenyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 171063550
5-[(6-bromo-2-methyl-3-pyridinyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 168939248
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 141204982
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179420
2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
CID 130543589
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetaldehyde
CID 87332082

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 16638341) is 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane is c1ccc(CN2CC3CC2CO3)cc1.
What is the InChIKey of 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is REVMUFHYPGBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-10(5-3-1)7-13-8-12-6-11(13)9-14-12/h1-5,11-12H,6-9H2.
What are the key properties of 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane?
5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 189.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 16638341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).