7-benzyl-7-azabicyclo[2.2.1]heptan-2-one

C13H15NO — CID 83679878

IUPAC7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-8-11-6-7-12(13)14(11)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyYBMNXFAEEMPSTE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds2

About 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one

7-benzyl-7-azabicyclo[2.2.1]heptan-2-one (PubChem CID 83679878) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
PubChem CID83679878
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-8-11-6-7-12(13)14(11)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyYBMNXFAEEMPSTE-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10680204
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 130054429
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,6R)-9-benzyl-3-(cyclopropanecarbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 98078393
9-benzyl-3-(cyclopropanecarbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 110226128
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
(1S,5S)-9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 98043423

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one (CID 83679878) is 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one is O=C1CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one?
The InChIKey is YBMNXFAEEMPSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-8-11-6-7-12(13)14(11)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one?
7-benzyl-7-azabicyclo[2.2.1]heptan-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-7-azabicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 83679878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).