(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline

C16H17N — CID 59805884

IUPAC(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
SMILESC1=CC2=CCN3CCc4ccccc4[C@]23CC1
InChIInChI=1S/C16H17N/c1-2-7-15-13(5-1)8-11-17-12-9-14-6-3-4-10-16(14,15)17/h1-3,5-7,9H,4,8,10-12H2/t16-/m0/s1
InChIKeyATUHCSGAANHSNN-INIZCTEOSA-N
MW223.32 g/mol
LogP3.03
Rot. Bonds

About (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline

(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline (PubChem CID 59805884) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline.

Molecular Properties

Compound Name(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
PubChem CID59805884
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
SMILESC1=CC2=CCN3CCc4ccccc4[C@]23CC1
InChIInChI=1S/C16H17N/c1-2-7-15-13(5-1)8-11-17-12-9-14-6-3-4-10-16(14,15)17/h1-3,5-7,9H,4,8,10-12H2/t16-/m0/s1
InChIKeyATUHCSGAANHSNN-INIZCTEOSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline?
The IUPAC name of (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline (CID 59805884) is (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline.
What is the SMILES notation for (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline?
The canonical SMILES for (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline is C1=CC2=CCN3CCc4ccccc4[C@]23CC1.
What is the InChIKey of (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline?
The InChIKey is ATUHCSGAANHSNN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N/c1-2-7-15-13(5-1)8-11-17-12-9-14-6-3-4-10-16(14,15)17/h1-3,5-7,9H,4,8,10-12H2/t16-/m0/s1.
What are the key properties of (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline?
(13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13bS)-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline is sourced from PubChem (CID 59805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).