N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide

C10H14N2O — CID 131036228

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCN1CC=CCC1
InChIInChI=1S/C10H14N2O/c1-2-10(13)11-6-9-12-7-4-3-5-8-12/h1,3-4H,5-9H2,(H,11,13)
InChIKeyCKTBUHHOFKBSOM-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.00
Rot. Bonds3

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide (PubChem CID 131036228) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide
PubChem CID131036228
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCN1CC=CCC1
InChIInChI=1S/C10H14N2O/c1-2-10(13)11-6-9-12-7-4-3-5-8-12/h1,3-4H,5-9H2,(H,11,13)
InChIKeyCKTBUHHOFKBSOM-UHFFFAOYSA-N
XLogP-0.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide (CID 131036228) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide is C#CC(=O)NCCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide?
The InChIKey is CKTBUHHOFKBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10(13)11-6-9-12-7-4-3-5-8-12/h1,3-4H,5-9H2,(H,11,13).
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide has a molecular weight of 178.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide is sourced from PubChem (CID 131036228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).