1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

C12H18N2O — CID 91747724

IUPAC1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(C2CCCC=N2)CCC1
InChIInChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h7,9,12H,2-6,8H2,1H3
InChIKeyQNIAXHGFFZVMHW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.14
Rot. Bonds1

About 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 91747724) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID91747724
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(C2CCCC=N2)CCC1
InChIInChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h7,9,12H,2-6,8H2,1H3
InChIKeyQNIAXHGFFZVMHW-UHFFFAOYSA-N
XLogP2.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 91747724) is 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C(C2CCCC=N2)CCC1.
What is the InChIKey of 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is QNIAXHGFFZVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h7,9,12H,2-6,8H2,1H3.
What are the key properties of 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 91747724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).