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

C9H16N2O — CID 142187825

IUPAC7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
SMILESCN1CC2NCCCC2CC1=O
InChIInChI=1S/C9H16N2O/c1-11-6-8-7(5-9(11)12)3-2-4-10-8/h7-8,10H,2-6H2,1H3
InChIKeyDUKHWOBXMXGCPC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds

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

7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one (PubChem CID 142187825) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
PubChem CID142187825
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
SMILESCN1CC2NCCCC2CC1=O
InChIInChI=1S/C9H16N2O/c1-11-6-8-7(5-9(11)12)3-2-4-10-8/h7-8,10H,2-6H2,1H3
InChIKeyDUKHWOBXMXGCPC-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 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one?
The IUPAC name of 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one (CID 142187825) is 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one?
The canonical SMILES for 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one is CN1CC2NCCCC2CC1=O.
What is the InChIKey of 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one?
The InChIKey is DUKHWOBXMXGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-6-8-7(5-9(11)12)3-2-4-10-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one?
7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-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 7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one is sourced from PubChem (CID 142187825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).