10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

C18H19NO — CID 59535430

IUPAC10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESCCc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H19NO/c1-2-11-6-5-9-13-15(11)10-16-12-7-3-4-8-14(12)18(20)19-17(13)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyHBYXJMCIMJBVJR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.39
Rot. Bonds1

About 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 59535430) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
PubChem CID59535430
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESCCc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H19NO/c1-2-11-6-5-9-13-15(11)10-16-12-7-3-4-8-14(12)18(20)19-17(13)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyHBYXJMCIMJBVJR-UHFFFAOYSA-N
XLogP3.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (CID 59535430) is 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is CCc1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is HBYXJMCIMJBVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-11-6-5-9-13-15(11)10-16-12-7-3-4-8-14(12)18(20)19-17(13)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 265.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 59535430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).