3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one

C15H26N2O2 — CID 103058119

IUPAC3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one
SMILESCN1CCCC2CN(CC3COCCC3=O)CCC21
InChIInChI=1S/C15H26N2O2/c1-16-6-2-3-12-9-17(7-4-14(12)16)10-13-11-19-8-5-15(13)18/h12-14H,2-11H2,1H3
InChIKeyWLMXZCLNZMAKCG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.01
Rot. Bonds2

About 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one

3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one (PubChem CID 103058119) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one.

Molecular Properties

Compound Name3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one
PubChem CID103058119
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one
SMILESCN1CCCC2CN(CC3COCCC3=O)CCC21
InChIInChI=1S/C15H26N2O2/c1-16-6-2-3-12-9-17(7-4-14(12)16)10-13-11-19-8-5-15(13)18/h12-14H,2-11H2,1H3
InChIKeyWLMXZCLNZMAKCG-UHFFFAOYSA-N
XLogP1.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one?
The IUPAC name of 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one (CID 103058119) is 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one.
What is the SMILES notation for 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one?
The canonical SMILES for 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one is CN1CCCC2CN(CC3COCCC3=O)CCC21.
What is the InChIKey of 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one?
The InChIKey is WLMXZCLNZMAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-6-2-3-12-9-17(7-4-14(12)16)10-13-11-19-8-5-15(13)18/h12-14H,2-11H2,1H3.
What are the key properties of 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one?
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one has a molecular weight of 266.38 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxan-4-one is sourced from PubChem (CID 103058119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).