(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one

C16H19NO — CID 164887957

IUPAC(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1
InChIInChI=1S/C16H19NO/c18-16-11-14-8-9-15(12-16)17(14)10-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12H2/b7-4+/t14-,15+
InChIKeyFRIHSJQESKXXNU-ORBRRYQHSA-N
MW241.33 g/mol
LogP2.90
Rot. Bonds3

About (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one

(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 164887957) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID164887957
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1
InChIInChI=1S/C16H19NO/c18-16-11-14-8-9-15(12-16)17(14)10-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12H2/b7-4+/t14-,15+
InChIKeyFRIHSJQESKXXNU-ORBRRYQHSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-phenylprop-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 77070188
3-methyl-9-[(E)-3-phenylprop-2-enyl]-9-azabicyclo[3.3.1]nonane
CID 129191946
8-(3-phenylprop-2-enyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane
CID 171148045
5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
CID 139246718
(1R,5S)-8-(4-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-one
CID 11777243
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
1-[3-(3-phenylprop-2-enyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 54472688
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one (CID 164887957) is (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one is O=C1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1.
What is the InChIKey of (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is FRIHSJQESKXXNU-ORBRRYQHSA-N. The full InChI is InChI=1S/C16H19NO/c18-16-11-14-8-9-15(12-16)17(14)10-4-7-13-5-2-1-3-6-13/h1-7,14-15H,8-12H2/b7-4+/t14-,15+.
What are the key properties of (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one?
(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 241.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 164887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).