2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one

C16H15NO — CID 15857438

IUPAC2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one
SMILESO=c1c2ccccc2cc2n1C1CCCCC1=C2
InChIInChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(13)16/h1,3,5,7,9-10,15H,2,4,6,8H2
InChIKeyKTFMBOTXISHYMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds

About 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one

2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one (PubChem CID 15857438) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one
PubChem CID15857438
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one
SMILESO=c1c2ccccc2cc2n1C1CCCCC1=C2
InChIInChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(13)16/h1,3,5,7,9-10,15H,2,4,6,8H2
InChIKeyKTFMBOTXISHYMS-UHFFFAOYSA-N
XLogP3.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one?
The IUPAC name of 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one (CID 15857438) is 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one.
What is the SMILES notation for 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one?
The canonical SMILES for 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one is O=c1c2ccccc2cc2n1C1CCCCC1=C2.
What is the InChIKey of 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one?
The InChIKey is KTFMBOTXISHYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(13)16/h1,3,5,7,9-10,15H,2,4,6,8H2.
What are the key properties of 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one?
2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one has a molecular weight of 237.30 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydro-1H-indolo[1,2-b]isoquinolin-6-one is sourced from PubChem (CID 15857438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).