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

C15H26N2O — CID 81200101

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one
SMILESCN1CCCC2CN(C3CCCCC3=O)CCC21
InChIInChI=1S/C15H26N2O/c1-16-9-4-5-12-11-17(10-8-13(12)16)14-6-2-3-7-15(14)18/h12-14H,2-11H2,1H3
InChIKeyXMRQPZXOCMRJPM-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.91
Rot. Bonds1

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

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one (PubChem CID 81200101) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one
PubChem CID81200101
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one
SMILESCN1CCCC2CN(C3CCCCC3=O)CCC21
InChIInChI=1S/C15H26N2O/c1-16-9-4-5-12-11-17(10-8-13(12)16)14-6-2-3-7-15(14)18/h12-14H,2-11H2,1H3
InChIKeyXMRQPZXOCMRJPM-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one (CID 81200101) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one is CN1CCCC2CN(C3CCCCC3=O)CCC21.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one?
The InChIKey is XMRQPZXOCMRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-9-4-5-12-11-17(10-8-13(12)16)14-6-2-3-7-15(14)18/h12-14H,2-11H2,1H3.
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one has a molecular weight of 250.39 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one is sourced from PubChem (CID 81200101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).