1,4,8,8a-tetrahydroisoquinoline

C9H11N — CID 91368297

IUPAC1,4,8,8a-tetrahydroisoquinoline
SMILESC1=CCC2CN=CCC2=C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6,9H,4-5,7H2
InChIKeyHEXLGUIYMMWVNC-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 1,4,8,8a-tetrahydroisoquinoline

1,4,8,8a-tetrahydroisoquinoline (PubChem CID 91368297) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,4,8,8a-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,4,8,8a-tetrahydroisoquinoline
PubChem CID91368297
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,4,8,8a-tetrahydroisoquinoline
SMILESC1=CCC2CN=CCC2=C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6,9H,4-5,7H2
InChIKeyHEXLGUIYMMWVNC-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
5,5a-dihydro-4H-2-benzazepine
CID 18435514
2,3,4,4a-Tetrahydroquinoline
CID 20394214
3,4,4a,7-Tetrahydroisoquinoline
CID 53727755
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
3a,4-dihydro-1H-isoindole
CID 54009157
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920

Frequently Asked Questions

What is the IUPAC name of 1,4,8,8a-tetrahydroisoquinoline?
The IUPAC name of 1,4,8,8a-tetrahydroisoquinoline (CID 91368297) is 1,4,8,8a-tetrahydroisoquinoline.
What is the SMILES notation for 1,4,8,8a-tetrahydroisoquinoline?
The canonical SMILES for 1,4,8,8a-tetrahydroisoquinoline is C1=CCC2CN=CCC2=C1.
What is the InChIKey of 1,4,8,8a-tetrahydroisoquinoline?
The InChIKey is HEXLGUIYMMWVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6,9H,4-5,7H2.
What are the key properties of 1,4,8,8a-tetrahydroisoquinoline?
1,4,8,8a-tetrahydroisoquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,8a-tetrahydroisoquinoline is sourced from PubChem (CID 91368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).