2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide

C12H18N2O — CID 106213006

IUPAC2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
SMILESC#CCCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H18N2O/c1-3-4-5-6-7-14-12(15)10(2)11-8-13-9-11/h1,13H,4-9H2,2H3,(H,14,15)
InChIKeyGPQPHURLCVJVBT-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.83
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide

2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide (PubChem CID 106213006) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
PubChem CID106213006
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
SMILESC#CCCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H18N2O/c1-3-4-5-6-7-14-12(15)10(2)11-8-13-9-11/h1,13H,4-9H2,2H3,(H,14,15)
InChIKeyGPQPHURLCVJVBT-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
N-hex-5-ynyl-3-methylbut-2-enamide
CID 103757972
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
5-[2-(Azetidin-3-ylidene)propanoylamino]pentanamide
CID 106236022
2-(azetidin-3-ylidene)-N-but-3-yn-2-ylpropanamide
CID 114417006
2-(azetidin-3-ylidene)-N-propylpropanamide
CID 116674216
2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 116674242
2-(azetidin-3-ylidene)-N-cyclopentylpropanamide
CID 116674244
2-(azetidin-3-ylidene)-N-pentan-3-ylpropanamide
CID 116674246
2-(azetidin-3-ylidene)-N-ethylpropanamide
CID 116674252

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide (CID 106213006) is 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide is C#CCCCCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide?
The InChIKey is GPQPHURLCVJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-6-7-14-12(15)10(2)11-8-13-9-11/h1,13H,4-9H2,2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide?
2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 0.83, 5 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-5-ynylpropanamide is sourced from PubChem (CID 106213006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).