8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one

C11H12ClNO — CID 142567432

IUPAC8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one
SMILESO=C1CCCCNc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c12-8-4-5-10-9(7-8)11(14)3-1-2-6-13-10/h4-5,7,13H,1-3,6H2
InChIKeyYOFNAWCMZMEXLD-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.12
Rot. Bonds

About 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one

8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one (PubChem CID 142567432) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one.

Molecular Properties

Compound Name8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one
PubChem CID142567432
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one
SMILESO=C1CCCCNc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c12-8-4-5-10-9(7-8)11(14)3-1-2-6-13-10/h4-5,7,13H,1-3,6H2
InChIKeyYOFNAWCMZMEXLD-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121011436
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CID 10264656
4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde
CID 82411274
8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 68679466
8-fluoro-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82409687
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 45098257
6-ethynyl-2,3-dihydro-1H-quinolin-4-one
CID 147341621
8-chloro-4,5-dihydro-3H-1,5-benzoxazepin-2-one
CID 84667919
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
7-chloro-3,4-dihydro-2H-anthracen-1-one
CID 174638642
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one?
The IUPAC name of 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one (CID 142567432) is 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one.
What is the SMILES notation for 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one?
The canonical SMILES for 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one is O=C1CCCCNc2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one?
The InChIKey is YOFNAWCMZMEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-8-4-5-10-9(7-8)11(14)3-1-2-6-13-10/h4-5,7,13H,1-3,6H2.
What are the key properties of 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one?
8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one has a molecular weight of 209.68 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3,4,5-tetrahydro-1H-1-benzazocin-6-one is sourced from PubChem (CID 142567432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).