(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one

C17H17NO2 — CID 76956927

IUPAC(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
SMILESCCO[C@@H]1c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3/t16-/m1/s1
InChIKeyBLGFGFHRMMDRPC-MRXNPFEDSA-N
MW267.33 g/mol
LogP3.40
Rot. Bonds2

About (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one

(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one (PubChem CID 76956927) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
PubChem CID76956927
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
SMILESCCO[C@@H]1c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3/t16-/m1/s1
InChIKeyBLGFGFHRMMDRPC-MRXNPFEDSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethoxy-1,3-dihydroindol-2-one
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4-hydroxy-1-methyl-4H-quinoline-2,3-dione
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(3R)-3-ethyl-1-methyl-3H-indol-2-one
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9-ethoxy-3-phenyl-9H-indeno[1,2-f][1,3]benzoxazol-2-one
CID 102596470
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
3-methoxyimino-1-methylindol-2-one
CID 2729193
methyl 1,3-dioxo-2-propyl-4H-isoquinoline-4-carboxylate
CID 10400424
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
9-pentoxy-9H-fluorene
CID 175299691

Frequently Asked Questions

What is the IUPAC name of (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one?
The IUPAC name of (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one (CID 76956927) is (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one.
What is the SMILES notation for (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one?
The canonical SMILES for (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one is CCO[C@@H]1c2ccccc2C(=O)N(C)c2ccccc21.
What is the InChIKey of (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one?
The InChIKey is BLGFGFHRMMDRPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one?
(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one has a molecular weight of 267.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one is sourced from PubChem (CID 76956927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).