2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide

C9H12N2O — CID 116674617

IUPAC2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C9H12N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h1,10H,4-6H2,2H3,(H,11,12)
InChIKeyJYTONEZDHSJWKT-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.34
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide

2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide (PubChem CID 116674617) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
PubChem CID116674617
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C9H12N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h1,10H,4-6H2,2H3,(H,11,12)
InChIKeyJYTONEZDHSJWKT-UHFFFAOYSA-N
XLogP-0.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
CID 102993089
2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
CID 106213006
2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide
CID 106221891
2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide
CID 106230347
2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide
CID 106230627
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 113550643
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]propanamide
CID 113550669
2-(Azetidin-3-ylidene)-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 113550878
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 113762080
2-(azetidin-3-ylidene)-N-but-3-yn-2-ylpropanamide
CID 114417006
2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide
CID 114617072

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide (CID 116674617) is 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide?
The InChIKey is JYTONEZDHSJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h1,10H,4-6H2,2H3,(H,11,12).
What are the key properties of 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide?
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide has a molecular weight of 164.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 116674617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).