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

C18H25NO — CID 141269187

IUPAC6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
SMILESCC1CC2C(=CCC3C4CC=CC4CCC23)N(C)C1=O
InChIInChI=1S/C18H25NO/c1-11-10-16-15-7-6-12-4-3-5-13(12)14(15)8-9-17(16)19(2)18(11)20/h3-4,9,11-16H,5-8,10H2,1-2H3
InChIKeyPRRVAIRBNSDCDZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.61
Rot. Bonds

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

6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one (PubChem CID 141269187) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
PubChem CID141269187
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
SMILESCC1CC2C(=CCC3C4CC=CC4CCC23)N(C)C1=O
InChIInChI=1S/C18H25NO/c1-11-10-16-15-7-6-12-4-3-5-13(12)14(15)8-9-17(16)19(2)18(11)20/h3-4,9,11-16H,5-8,10H2,1-2H3
InChIKeyPRRVAIRBNSDCDZ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.61
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 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one (CID 141269187) is 6,8-dimethyl-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 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one is CC1CC2C(=CCC3C4CC=CC4CCC23)N(C)C1=O.
What is the InChIKey of 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
The InChIKey is PRRVAIRBNSDCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-10-16-15-7-6-12-4-3-5-13(12)14(15)8-9-17(16)19(2)18(11)20/h3-4,9,11-16H,5-8,10H2,1-2H3.
What are the key properties of 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one?
6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one has a molecular weight of 271.40 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 141269187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).