5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one

C16H15NO — CID 56958885

IUPAC5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
SMILESCN1Cc2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C16H15NO/c1-17-11-13-7-3-2-6-12(13)10-16(18)14-8-4-5-9-15(14)17/h2-9H,10-11H2,1H3
InChIKeyAWADCIZTAYISDL-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds

About 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one

5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one (PubChem CID 56958885) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one.

Molecular Properties

Compound Name5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
PubChem CID56958885
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
SMILESCN1Cc2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C16H15NO/c1-17-11-13-7-3-2-6-12(13)10-16(18)14-8-4-5-9-15(14)17/h2-9H,10-11H2,1H3
InChIKeyAWADCIZTAYISDL-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2H-indol-3-one
CID 10125067
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
CID 142452538
ethane;(11Z)-5-methyl-6H-benzo[c][1]benzazocine-11,12-diamine
CID 155741393
14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene
CID 171814428
2,5-dimethyl-6H-phenanthridine
CID 58184346
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde
CID 71440334
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
CID 28424
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one?
The IUPAC name of 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one (CID 56958885) is 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one.
What is the SMILES notation for 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one?
The canonical SMILES for 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one is CN1Cc2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one?
The InChIKey is AWADCIZTAYISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-11-13-7-3-2-6-12(13)10-16(18)14-8-4-5-9-15(14)17/h2-9H,10-11H2,1H3.
What are the key properties of 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one?
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one has a molecular weight of 237.30 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one is sourced from PubChem (CID 56958885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).