2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C11H16N2O — CID 114409127

IUPAC2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC(C(=O)N1CC=CCC1)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-9(10-7-12-8-10)11(14)13-5-3-2-4-6-13/h2-3,12H,4-8H2,1H3
InChIKeyTZLVCNNODVWMPI-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.69
Rot. Bonds1

About 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one

2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 114409127) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID114409127
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC(C(=O)N1CC=CCC1)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-9(10-7-12-8-10)11(14)13-5-3-2-4-6-13/h2-3,12H,4-8H2,1H3
InChIKeyTZLVCNNODVWMPI-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one 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 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 114409127) is 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CC(C(=O)N1CC=CCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is TZLVCNNODVWMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(10-7-12-8-10)11(14)13-5-3-2-4-6-13/h2-3,12H,4-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 114409127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).