(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

C15H23NO — CID 70219375

IUPAC(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1CCC2C(CCC3[C@@H](C)C(=O)C=CN23)C1
InChIInChI=1S/C15H23NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h7-8,10-14H,3-6,9H2,1-2H3/t10?,11-,12?,13?,14?/m1/s1
InChIKeyBCGSBBYXGWBNBJ-JBJAJFNYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds

About (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (PubChem CID 70219375) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
PubChem CID70219375
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1CCC2C(CCC3[C@@H](C)C(=O)C=CN23)C1
InChIInChI=1S/C15H23NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h7-8,10-14H,3-6,9H2,1-2H3/t10?,11-,12?,13?,14?/m1/s1
InChIKeyBCGSBBYXGWBNBJ-JBJAJFNYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The IUPAC name of (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (CID 70219375) is (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is CC1CCC2C(CCC3[C@@H](C)C(=O)C=CN23)C1.
What is the InChIKey of (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The InChIKey is BCGSBBYXGWBNBJ-JBJAJFNYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h7-8,10-14H,3-6,9H2,1-2H3/t10?,11-,12?,13?,14?/m1/s1.
What are the key properties of (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
(4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one has a molecular weight of 233.36 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 70219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).