(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one

C16H19NO — CID 101152474

IUPAC(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one
SMILESC=CN1Cc2ccccc2[C@H]2CCCC[C@@H]2C1=O
InChIInChI=1S/C16H19NO/c1-2-17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(17)18/h2-4,7-8,14-15H,1,5-6,9-11H2/t14-,15+/m1/s1
InChIKeyYJKIGVKJHOIXGJ-CABCVRRESA-N
MW241.33 g/mol
LogP3.45
Rot. Bonds1

About (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one

(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one (PubChem CID 101152474) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one.

Molecular Properties

Compound Name(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one
PubChem CID101152474
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one
SMILESC=CN1Cc2ccccc2[C@H]2CCCC[C@@H]2C1=O
InChIInChI=1S/C16H19NO/c1-2-17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(17)18/h2-4,7-8,14-15H,1,5-6,9-11H2/t14-,15+/m1/s1
InChIKeyYJKIGVKJHOIXGJ-CABCVRRESA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one with MolForge

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Related Compounds

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(15R,19R)-17-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 51463995
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CID 5192921
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CID 10831039
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1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
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Frequently Asked Questions

What is the IUPAC name of (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one?
The IUPAC name of (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one (CID 101152474) is (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one.
What is the SMILES notation for (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one?
The canonical SMILES for (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one is C=CN1Cc2ccccc2[C@H]2CCCC[C@@H]2C1=O.
What is the InChIKey of (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one?
The InChIKey is YJKIGVKJHOIXGJ-CABCVRRESA-N. The full InChI is InChI=1S/C16H19NO/c1-2-17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(17)18/h2-4,7-8,14-15H,1,5-6,9-11H2/t14-,15+/m1/s1.
What are the key properties of (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one?
(7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one has a molecular weight of 241.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS,11aS)-6-ethenyl-7a,8,9,10,11,11a-hexahydro-5H-benzo[d][2]benzazepin-7-one is sourced from PubChem (CID 101152474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).