(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one

C25H21NO2 — CID 130297785

IUPAC(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one
SMILESO=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1
InChIInChI=1S/C25H21NO2/c27-24-25(15-18-9-3-1-4-10-18)16-22(19-11-5-2-6-12-19)28-23(25)21-14-8-7-13-20(21)17-26-24/h1-14,16,23H,15,17H2,(H,26,27)/t23-,25-/m0/s1
InChIKeySRYCMXMCXJBJLG-ZCYQVOJMSA-N
MW367.45 g/mol
LogP4.66
Rot. Bonds3

About (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one

(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one (PubChem CID 130297785) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one.

Molecular Properties

Compound Name(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one
PubChem CID130297785
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one
SMILESO=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1
InChIInChI=1S/C25H21NO2/c27-24-25(15-18-9-3-1-4-10-18)16-22(19-11-5-2-6-12-19)28-23(25)21-14-8-7-13-20(21)17-26-24/h1-14,16,23H,15,17H2,(H,26,27)/t23-,25-/m0/s1
InChIKeySRYCMXMCXJBJLG-ZCYQVOJMSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one?
The IUPAC name of (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one (CID 130297785) is (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one.
What is the SMILES notation for (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one?
The canonical SMILES for (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one is O=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1.
What is the InChIKey of (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one?
The InChIKey is SRYCMXMCXJBJLG-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H21NO2/c27-24-25(15-18-9-3-1-4-10-18)16-22(19-11-5-2-6-12-19)28-23(25)21-14-8-7-13-20(21)17-26-24/h1-14,16,23H,15,17H2,(H,26,27)/t23-,25-/m0/s1.
What are the key properties of (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one?
(3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,10bS)-3a-benzyl-2-phenyl-6,10b-dihydro-5H-furo[3,2-d][2]benzazepin-4-one is sourced from PubChem (CID 130297785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).