7,8-dihydro-6H-isoquinolin-5-one;hydrochloride

C9H10ClNO — CID 23157166

IUPAC7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
SMILESCl.O=C1CCCc2cnccc21
InChIInChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H
InChIKeyXIFLOZYAKQKYHN-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.02
Rot. Bonds

About 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride

7,8-dihydro-6H-isoquinolin-5-one;hydrochloride (PubChem CID 23157166) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
PubChem CID23157166
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
SMILESCl.O=C1CCCc2cnccc21
InChIInChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H
InChIKeyXIFLOZYAKQKYHN-UHFFFAOYSA-N
XLogP2.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dihydro-6H-isoquinolin-5-one;methane;methyl 5-hydroxy-7,8-dihydroisoquinoline-6-carboxylate
CID 162063250
N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine
CID 135742182
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
5,7,8,9-tetrahydrocyclohepta[c]pyridin-6-one
CID 20546924
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-9-one
CID 57181856
3-thia-5,12-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-amine
CID 59738038
5,6-dihydro-2H-2,8-phenanthrolin-3-one
CID 177137002
6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one;(NE)-N-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
CID 172941326
5,6-dimethyl-7,8-dihydroisoquinoline
CID 89031942

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride?
The IUPAC name of 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride (CID 23157166) is 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride.
What is the SMILES notation for 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride?
The canonical SMILES for 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride is Cl.O=C1CCCc2cnccc21.
What is the InChIKey of 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride?
The InChIKey is XIFLOZYAKQKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H.
What are the key properties of 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride?
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride is sourced from PubChem (CID 23157166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).