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

C9H16N2O — CID 83816065

IUPAC6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCN1CCC2NC(=O)CCC2C1
InChIInChI=1S/C9H16N2O/c1-11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyRGOGUGNZCNIGNZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds

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

6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 83816065) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID83816065
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCN1CCC2NC(=O)CCC2C1
InChIInChI=1S/C9H16N2O/c1-11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyRGOGUGNZCNIGNZ-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 83816065) is 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CN1CCC2NC(=O)CCC2C1.
What is the InChIKey of 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is RGOGUGNZCNIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-5-4-8-7(6-11)2-3-9(12)10-8/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 83816065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).