6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one

C17H23NO — CID 141269165

IUPAC6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CCC2C1=CCC1C3CC=CC3CCC21
InChIInChI=1S/C17H23NO/c1-18-16-9-7-13-12-4-2-3-11(12)5-6-14(13)15(16)8-10-17(18)19/h2-3,9,11-15H,4-8,10H2,1H3
InChIKeyFJXAGIRXPGOIPR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.36
Rot. Bonds

About 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one

6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one (PubChem CID 141269165) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
PubChem CID141269165
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CCC2C1=CCC1C3CC=CC3CCC21
InChIInChI=1S/C17H23NO/c1-18-16-9-7-13-12-4-2-3-11(12)5-6-14(13)15(16)8-10-17(18)19/h2-3,9,11-15H,4-8,10H2,1H3
InChIKeyFJXAGIRXPGOIPR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one (CID 141269165) is 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one is CN1C(=O)CCC2C1=CCC1C3CC=CC3CCC21.
What is the InChIKey of 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The InChIKey is FJXAGIRXPGOIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18-16-9-7-13-12-4-2-3-11(12)5-6-14(13)15(16)8-10-17(18)19/h2-3,9,11-15H,4-8,10H2,1H3.
What are the key properties of 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one has a molecular weight of 257.38 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 141269165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).