1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one

C16H21NO — CID 67397296

IUPAC1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one
SMILESO=C1C=C2CCCC2C2=C1C1CCCNC1CC2
InChIInChI=1S/C16H21NO/c18-15-9-10-3-1-4-11(10)12-6-7-14-13(16(12)15)5-2-8-17-14/h9,11,13-14,17H,1-8H2
InChIKeyWYUFWFNKOMVFRL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.75
Rot. Bonds

About 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one

1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one (PubChem CID 67397296) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one.

Molecular Properties

Compound Name1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one
PubChem CID67397296
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one
SMILESO=C1C=C2CCCC2C2=C1C1CCCNC1CC2
InChIInChI=1S/C16H21NO/c18-15-9-10-3-1-4-11(10)12-6-7-14-13(16(12)15)5-2-8-17-14/h9,11,13-14,17H,1-8H2
InChIKeyWYUFWFNKOMVFRL-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one?
The IUPAC name of 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one (CID 67397296) is 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one.
What is the SMILES notation for 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one?
The canonical SMILES for 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one is O=C1C=C2CCCC2C2=C1C1CCCNC1CC2.
What is the InChIKey of 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one?
The InChIKey is WYUFWFNKOMVFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-15-9-10-3-1-4-11(10)12-6-7-14-13(16(12)15)5-2-8-17-14/h9,11,13-14,17H,1-8H2.
What are the key properties of 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one?
1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one has a molecular weight of 243.35 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydroindeno[5,4-f]quinolin-10-one is sourced from PubChem (CID 67397296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).