11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one

C15H18N2O2 — CID 170423038

IUPAC11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
SMILESO=C1OCC2C3CCC(CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2/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
InChIKeyZVQZUSKADJNBIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds2

About 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one

11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one (PubChem CID 170423038) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one.

Molecular Properties

Compound Name11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
PubChem CID170423038
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
SMILESO=C1OCC2C3CCC(CN12)N3Cc1ccccc1
InChIInChI=1S/C15H18N2O2/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
InChIKeyZVQZUSKADJNBIO-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one
CID 170423006
(1R,8S)-11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one;methane
CID 177041971
(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 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The IUPAC name of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one (CID 170423038) is 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one.
What is the SMILES notation for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The canonical SMILES for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one is O=C1OCC2C3CCC(CN12)N3Cc1ccccc1.
What is the InChIKey of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
The InChIKey is ZVQZUSKADJNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/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.
What are the key properties of 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one?
11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one has a molecular weight of 258.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-4-oxa-6,11-diazatricyclo[6.2.1.02,6]undecan-5-one is sourced from PubChem (CID 170423038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).