8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one

C10H17NO — CID 59871614

IUPAC8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one
SMILESCC12CCCCC1CCNC2=O
InChIInChI=1S/C10H17NO/c1-10-6-3-2-4-8(10)5-7-11-9(10)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRGZQSFNXZIZTRX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds

About 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one

8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one (PubChem CID 59871614) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one.

Molecular Properties

Compound Name8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one
PubChem CID59871614
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one
SMILESCC12CCCCC1CCNC2=O
InChIInChI=1S/C10H17NO/c1-10-6-3-2-4-8(10)5-7-11-9(10)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRGZQSFNXZIZTRX-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one with MolForge

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Related Compounds

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CID 557031
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
(3R,4aS,8aR)-3,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 22212489
(6S,11R)-11-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 10397469
(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
CID 134892693
(3E,3aS,7aS)-3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
CID 21160609
5-cyclopentyl-5-methylpiperidin-2-one
CID 102737198
(1S,5S,7S)-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
CID 130840841
10-azatricyclo[5.4.0.01,5]undecane-4,11-dione
CID 55280629
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one?
The IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one (CID 59871614) is 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one.
What is the SMILES notation for 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one?
The canonical SMILES for 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one is CC12CCCCC1CCNC2=O.
What is the InChIKey of 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one?
The InChIKey is RGZQSFNXZIZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10-6-3-2-4-8(10)5-7-11-9(10)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one?
8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinolin-1-one is sourced from PubChem (CID 59871614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).