2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

C14H18N2O2 — CID 77399991

IUPAC2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC1CCC2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyGFSJHWBPHVENBD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 77399991) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID77399991
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC1CCC2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyGFSJHWBPHVENBD-UHFFFAOYSA-N
XLogP2.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 57389435
N-[1-[2-(4-ethyl-5H-tetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-[(2-fluorophenyl)methoxy]acetamide
CID 23324765
N-[(2-fluorophenyl)methoxy]-N-(1-methylpiperidin-2-yl)acetamide
CID 88700485
(2R,5R)-2-fluoro-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145222798
(2S,5R)-2-(difluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146337164
(2S,5R)-6-phenylmethoxy-2-(trifluoromethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146337168
(2S,5R)-2-fluoro-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346793
(2R,5R)-6-phenylmethoxy-2-(trifluoromethylsulfanyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362134
(2S,5R)-2-(1,1-difluoroethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362147
(2S,5R)-6-phenylmethoxy-2-(trifluoromethoxymethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362263
2-Fluoro-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362286
(2S,5R)-2-(fluoromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 77399991) is 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is CC1CCC2CN1C(=O)N2OCc1ccccc1.
What is the InChIKey of 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is GFSJHWBPHVENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 77399991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).