1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline

C13H15N — CID 53797068

IUPAC1,2,3,4,10a,10b-hexahydrobenzo[f]isoquinoline
SMILESC1CNCC2=CC=C3C=CC=CC3C21
InChIInChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,12-14H,7-9H2
InChIKeyFFTFIZJGQYESLU-UHFFFAOYSA-N
MW185.26 g/mol
LogP1.70
Rot. Bonds

About 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline

1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline (PubChem CID 53797068) has the molecular formula C13H15N and a molecular weight of 185.26 g/mol. Its IUPAC name is 1,2,3,4,10a,10b-hexahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
PubChem CID53797068
Molecular FormulaC13H15N
Molecular Weight185.26 g/mol
Exact Mass185.12
IUPAC Name1,2,3,4,10a,10b-hexahydrobenzo[f]isoquinoline
SMILESC1CNCC2=CC=C3C=CC=CC3C21
InChIInChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,12-14H,7-9H2
InChIKeyFFTFIZJGQYESLU-UHFFFAOYSA-N
XLogP1.70
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity357

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Octahydroisoquinoline
CID 17803259
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
Hexahydroquinoline
CID 23352063
2,3,4a,8a,9,9a-hexahydro-1H-benzo[f]isoindole
CID 54098426
Hexahydroisoquinoline
CID 54394851
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
Octahydrobenz[h]isoquinoline
CID 56633701
1-Methylenetetrahydroisoquinoline
CID 66925930
Octahydrobenzoquinoline
CID 67195051
Hexahydrobenzo[f]quinoline
CID 88521331

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline?
The IUPAC name of 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline (CID 53797068) is 1,2,3,4,10a,10b-hexahydrobenzo[f]isoquinoline.
What is the SMILES notation for 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline?
The canonical SMILES for 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline is C1CNCC2=CC=C3C=CC=CC3C21.
What is the InChIKey of 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline?
The InChIKey is FFTFIZJGQYESLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,12-14H,7-9H2.
What are the key properties of 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline?
1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline has a molecular weight of 185.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline is sourced from PubChem (CID 53797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).