6,7-dihydroisoquinoline

C9H9N — CID 45079920

IUPAC6,7-dihydroisoquinoline
SMILESC1=c2ccncc2=CCC1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h3-7H,1-2H2
InChIKeySOSACGIAOSVYGO-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.44
Rot. Bonds

About 6,7-dihydroisoquinoline

6,7-dihydroisoquinoline (PubChem CID 45079920) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 6,7-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dihydroisoquinoline
PubChem CID45079920
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name6,7-dihydroisoquinoline
SMILESC1=c2ccncc2=CCC1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h3-7H,1-2H2
InChIKeySOSACGIAOSVYGO-UHFFFAOYSA-N
XLogP0.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzazocine
CID 19879720
3-Azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 21285726
6h,7h-Quinoline
CID 67835501
Cyclobuta[1,2-c:4,3-c']dipyridine
CID 141663
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
2-Azaphenalenyl
CID 12996720
1,5-Benzodiazocine
CID 23633143
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
Dihydrodibenzo-[c,e]azonine
CID 129855692

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroisoquinoline?
The IUPAC name of 6,7-dihydroisoquinoline (CID 45079920) is 6,7-dihydroisoquinoline.
What is the SMILES notation for 6,7-dihydroisoquinoline?
The canonical SMILES for 6,7-dihydroisoquinoline is C1=c2ccncc2=CCC1.
What is the InChIKey of 6,7-dihydroisoquinoline?
The InChIKey is SOSACGIAOSVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h3-7H,1-2H2.
What are the key properties of 6,7-dihydroisoquinoline?
6,7-dihydroisoquinoline has a molecular weight of 131.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroisoquinoline is sourced from PubChem (CID 45079920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).