N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide

C8H14N2O — CID 163944783

IUPACN-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide
SMILESCC(=O)NC1C=C(C)CNC1
InChIInChI=1S/C8H14N2O/c1-6-3-8(5-9-4-6)10-7(2)11/h3,8-9H,4-5H2,1-2H3,(H,10,11)
InChIKeyRUDIXJZLAGONAY-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds1

About N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide

N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide (PubChem CID 163944783) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide
PubChem CID163944783
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide
SMILESCC(=O)NC1C=C(C)CNC1
InChIInChI=1S/C8H14N2O/c1-6-3-8(5-9-4-6)10-7(2)11/h3,8-9H,4-5H2,1-2H3,(H,10,11)
InChIKeyRUDIXJZLAGONAY-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide (CID 163944783) is N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide is CC(=O)NC1C=C(C)CNC1.
What is the InChIKey of N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide?
The InChIKey is RUDIXJZLAGONAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-3-8(5-9-4-6)10-7(2)11/h3,8-9H,4-5H2,1-2H3,(H,10,11).
What are the key properties of N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide?
N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)acetamide is sourced from PubChem (CID 163944783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).