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

C15H19NO — CID 131859515

IUPAC(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
SMILESCc1cccc2c1[C@@H]1CN(C)CC[C@@H]1CC2=O
InChIInChI=1S/C15H19NO/c1-10-4-3-5-12-14(17)8-11-6-7-16(2)9-13(11)15(10)12/h3-5,11,13H,6-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyRKEAVIMSJQDUOF-DGCLKSJQSA-N
MW229.32 g/mol
LogP2.62
Rot. Bonds

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

(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one (PubChem CID 131859515) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one.

Molecular Properties

Compound Name(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
PubChem CID131859515
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
SMILESCc1cccc2c1[C@@H]1CN(C)CC[C@@H]1CC2=O
InChIInChI=1S/C15H19NO/c1-10-4-3-5-12-14(17)8-11-6-7-16(2)9-13(11)15(10)12/h3-5,11,13H,6-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyRKEAVIMSJQDUOF-DGCLKSJQSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The IUPAC name of (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one (CID 131859515) is (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one.
What is the SMILES notation for (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The canonical SMILES for (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one is Cc1cccc2c1[C@@H]1CN(C)CC[C@@H]1CC2=O.
What is the InChIKey of (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The InChIKey is RKEAVIMSJQDUOF-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-4-3-5-12-14(17)8-11-6-7-16(2)9-13(11)15(10)12/h3-5,11,13H,6-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one has a molecular weight of 229.32 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one is sourced from PubChem (CID 131859515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).