(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one

C22H27NO3Si — CID 10948938

IUPAC(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one
SMILESCOc1cc2c(cc1OC)/C([Si](C)(C)C)=C\c1ccccc1C(=O)NCC2
InChIInChI=1S/C22H27NO3Si/c1-25-19-12-16-10-11-23-22(24)17-9-7-6-8-15(17)13-21(27(3,4)5)18(16)14-20(19)26-2/h6-9,12-14H,10-11H2,1-5H3,(H,23,24)/b21-13+
InChIKeyZWLOOIUQOSROKM-FYJGNVAPSA-N
MW381.55 g/mol
LogP4.41
Rot. Bonds3

About (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one

(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one (PubChem CID 10948938) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one.

Molecular Properties

Compound Name(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one
PubChem CID10948938
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one
SMILESCOc1cc2c(cc1OC)/C([Si](C)(C)C)=C\c1ccccc1C(=O)NCC2
InChIInChI=1S/C22H27NO3Si/c1-25-19-12-16-10-11-23-22(24)17-9-7-6-8-15(17)13-21(27(3,4)5)18(16)14-20(19)26-2/h6-9,12-14H,10-11H2,1-5H3,(H,23,24)/b21-13+
InChIKeyZWLOOIUQOSROKM-FYJGNVAPSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2E)-17,18-dimethoxy-2-trimethylsilyl-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),2,4,6,8,15,17-heptaen-11-one
CID 10692103
(2E)-7,8-dimethoxy-2-trimethylsilyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),2,4(9),5,7,14,16(20)-heptaen-10-one
CID 10812316
3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 46904972
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(2-fluorophenyl)ethanone
CID 4909470
16,18-dimethoxy-4,8,12-triazatricyclo[13.2.2.16,10]icosa-1(17),6(20),7,9,15,18-hexaene-5,11-dione
CID 5251439
2-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]aniline
CID 5377790
7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 11401769
7-butoxy-8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 70849664
6,7-dimethoxy-1-[(4-methylphenyl)sulfonylmethylidene]-3,4-dihydro-2H-isoquinoline
CID 4906440
(2E)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-phenylacetonitrile
CID 11278183
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
dichloromethane;3,4-dihydro-2H-isoquinolin-1-one;ethane
CID 91339125

Frequently Asked Questions

What is the IUPAC name of (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one?
The IUPAC name of (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one (CID 10948938) is (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one.
What is the SMILES notation for (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one?
The canonical SMILES for (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one is COc1cc2c(cc1OC)/C([Si](C)(C)C)=C\c1ccccc1C(=O)NCC2.
What is the InChIKey of (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one?
The InChIKey is ZWLOOIUQOSROKM-FYJGNVAPSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-25-19-12-16-10-11-23-22(24)17-9-7-6-8-15(17)13-21(27(3,4)5)18(16)14-20(19)26-2/h6-9,12-14H,10-11H2,1-5H3,(H,23,24)/b21-13+.
What are the key properties of (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one?
(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one has a molecular weight of 381.55 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one is sourced from PubChem (CID 10948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).