2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide

C12H18N2O — CID 106230627

IUPAC2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide
SMILESC#CC(CCC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H18N2O/c1-4-6-11(5-2)14-12(15)9(3)10-7-13-8-10/h2,11,13H,4,6-8H2,1,3H3,(H,14,15)
InChIKeyRZMKJNMELDTMJV-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.82
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide

2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide (PubChem CID 106230627) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide
PubChem CID106230627
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide
SMILESC#CC(CCC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H18N2O/c1-4-6-11(5-2)14-12(15)9(3)10-7-13-8-10/h2,11,13H,4,6-8H2,1,3H3,(H,14,15)
InChIKeyRZMKJNMELDTMJV-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.82
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'}

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Related Compounds

N-hex-1-yn-3-yl-3-methylbut-2-enamide
CID 103528675
2-(azetidin-3-ylidene)-N-(2-ethylcyclopropyl)propanamide
CID 105753102
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047676
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-octan-2-ylpropanamide
CID 113550795
2-(azetidin-3-ylidene)-N-butan-2-yl-N-butylpropanamide
CID 113550847
2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide
CID 114138362
2-(azetidin-3-ylidene)-N-but-3-yn-2-ylpropanamide
CID 114417006
2-(azetidin-3-ylidene)-N-cyclohexylpropanamide
CID 116674212
2-(azetidin-3-ylidene)-N-propylpropanamide
CID 116674216

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide (CID 106230627) is 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide is C#CC(CCC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide?
The InChIKey is RZMKJNMELDTMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-6-11(5-2)14-12(15)9(3)10-7-13-8-10/h2,11,13H,4,6-8H2,1,3H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide?
2-(azetidin-3-ylidene)-N-hex-1-yn-3-ylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 0.82, 4 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-hex-1-yn-3-ylpropanamide is sourced from PubChem (CID 106230627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).