(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane

C16H22N2O2 — CID 177041971

IUPAC(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane
SMILESC.O=C1OCC2[C@H]3CC[C@@H](CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2.CH4/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11;/h1-5,12-14H,6-10H2;1H4/t12-,13+,14?;/m0./s1
InChIKeyUXGPSLTUSZXLEG-OQBXUMRCSA-N
MW274.36 g/mol
LogP2.49
Rot. Bonds2

About (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane

(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane (PubChem CID 177041971) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane.

Molecular Properties

Compound Name(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane
PubChem CID177041971
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane
SMILESC.O=C1OCC2[C@H]3CC[C@@H](CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2.CH4/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11;/h1-5,12-14H,6-10H2;1H4/t12-,13+,14?;/m0./s1
InChIKeyUXGPSLTUSZXLEG-OQBXUMRCSA-N
XLogP2.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane with MolForge

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Related Compounds

11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 170423038
(8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 170423006
(1R,2S,3S,8S)-11-benzyl-3-methyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 164943270
(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 174154321
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 130054429
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
[(1R,2S,5S)-8-benzyl-3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-2-yl]methanol
CID 166484553
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064356

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane?
The IUPAC name of (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane (CID 177041971) is (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane.
What is the SMILES notation for (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane?
The canonical SMILES for (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane is C.O=C1OCC2[C@H]3CC[C@@H](CN12)N3Cc1ccccc1.
What is the InChIKey of (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane?
The InChIKey is UXGPSLTUSZXLEG-OQBXUMRCSA-N. The full InChI is InChI=1S/C15H18N2O2.CH4/c18-15-17-9-12-6-7-13(14(17)10-19-15)16(12)8-11-4-2-1-3-5-11;/h1-5,12-14H,6-10H2;1H4/t12-,13+,14?;/m0./s1.
What are the key properties of (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane?
(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane has a molecular weight of 274.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane is sourced from PubChem (CID 177041971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).