6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

C18H19NO — CID 168786379

IUPAC6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
SMILESCN1CCc2ccccc2C(=O)Cc2ccccc2C1
InChIInChI=1S/C18H19NO/c1-19-11-10-14-6-4-5-9-17(14)18(20)12-15-7-2-3-8-16(15)13-19/h2-9H,10-13H2,1H3
InChIKeyXJUREFHNEAJVHG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.10
Rot. Bonds

About 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one (PubChem CID 168786379) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one.

Molecular Properties

Compound Name6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
PubChem CID168786379
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
SMILESCN1CCc2ccccc2C(=O)Cc2ccccc2C1
InChIInChI=1S/C18H19NO/c1-19-11-10-14-6-4-5-9-17(14)18(20)12-15-7-2-3-8-16(15)13-19/h2-9H,10-13H2,1H3
InChIKeyXJUREFHNEAJVHG-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one with MolForge

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Related Compounds

methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
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5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one?
The IUPAC name of 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one (CID 168786379) is 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one.
What is the SMILES notation for 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one?
The canonical SMILES for 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one is CN1CCc2ccccc2C(=O)Cc2ccccc2C1.
What is the InChIKey of 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one?
The InChIKey is XJUREFHNEAJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-11-10-14-6-4-5-9-17(14)18(20)12-15-7-2-3-8-16(15)13-19/h2-9H,10-13H2,1H3.
What are the key properties of 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one?
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one has a molecular weight of 265.36 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one is sourced from PubChem (CID 168786379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).