2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide

C9H16N2O — CID 90859499

IUPAC2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
SMILESCCN1CC=C(CC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-2-11-5-3-8(4-6-11)7-9(10)12/h3H,2,4-7H2,1H3,(H2,10,12)
InChIKeyADXBYPVEFVRHIR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

About 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide (PubChem CID 90859499) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
PubChem CID90859499
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide
SMILESCCN1CC=C(CC(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-2-11-5-3-8(4-6-11)7-9(10)12/h3H,2,4-7H2,1H3,(H2,10,12)
InChIKeyADXBYPVEFVRHIR-UHFFFAOYSA-N
XLogP0.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
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 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide (CID 90859499) is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide.
What is the SMILES notation for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The canonical SMILES for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide is CCN1CC=C(CC(N)=O)CC1.
What is the InChIKey of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
The InChIKey is ADXBYPVEFVRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-5-3-8(4-6-11)7-9(10)12/h3H,2,4-7H2,1H3,(H2,10,12).
What are the key properties of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide?
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)acetamide is sourced from PubChem (CID 90859499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).