(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one

C20H21NO — CID 139095598

IUPAC(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1=O
InChIInChI=1S/C20H21NO/c1-14(15-8-4-2-5-9-15)21-13-17-12-18(19(17)20(21)22)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3/t14-,17+,18+,19-/m0/s1
InChIKeyHHSRBYJOZPIODD-PIKADFDJSA-N
MW291.39 g/mol
LogP4.01
Rot. Bonds3

About (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one

(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one (PubChem CID 139095598) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
PubChem CID139095598
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1=O
InChIInChI=1S/C20H21NO/c1-14(15-8-4-2-5-9-15)21-13-17-12-18(19(17)20(21)22)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3/t14-,17+,18+,19-/m0/s1
InChIKeyHHSRBYJOZPIODD-PIKADFDJSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one (CID 139095598) is (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one is C[C@@H](c1ccccc1)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1=O.
What is the InChIKey of (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one?
The InChIKey is HHSRBYJOZPIODD-PIKADFDJSA-N. The full InChI is InChI=1S/C20H21NO/c1-14(15-8-4-2-5-9-15)21-13-17-12-18(19(17)20(21)22)16-10-6-3-7-11-16/h2-11,14,17-19H,12-13H2,1H3/t14-,17+,18+,19-/m0/s1.
What are the key properties of (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one?
(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 139095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).