(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

C15H19NO — CID 10105225

IUPAC(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCc1ccc2c(c1)CC[C@@H]1[C@@H]2CCC(=O)N1C
InChIInChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1
InChIKeyXDOWUVXUVBBNIH-ZIAGYGMSSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds

About (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 10105225) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID10105225
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCc1ccc2c(c1)CC[C@@H]1[C@@H]2CCC(=O)N1C
InChIInChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1
InChIKeyXDOWUVXUVBBNIH-ZIAGYGMSSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 10105225) is (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CCC(=O)N1C.
What is the InChIKey of (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is XDOWUVXUVBBNIH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
(4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 229.32 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 10105225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).