2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide

C11H16N2O — CID 106221891

IUPAC2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-3-4-5-6-13-11(14)9(2)10-7-12-8-10/h1,12H,4-8H2,2H3,(H,13,14)
InChIKeyZEXIEUZORVPAND-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.44
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide

2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide (PubChem CID 106221891) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide
PubChem CID106221891
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-3-4-5-6-13-11(14)9(2)10-7-12-8-10/h1,12H,4-8H2,2H3,(H,13,14)
InChIKeyZEXIEUZORVPAND-UHFFFAOYSA-N
XLogP0.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.44
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-[3-(diethylamino)propyl]-N-ethylpropanamide
CID 102993089
2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
CID 103461443
2-(azetidin-3-ylidene)-N-[2-[ethyl(propyl)amino]ethyl]propanamide
CID 105968106
2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide
CID 106187300
2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
CID 106213006
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-(diethylamino)propyl]propanamide
CID 113550669
2-(azetidin-3-ylidene)-N-butan-2-yl-N-butylpropanamide
CID 113550847
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-pent-4-ynylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide (CID 106221891) is 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide is C#CCCCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide?
The InChIKey is ZEXIEUZORVPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-6-13-11(14)9(2)10-7-12-8-10/h1,12H,4-8H2,2H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide?
2-(azetidin-3-ylidene)-N-pent-4-ynylpropanamide has a molecular weight of 192.26 g/mol, XLogP of 0.44, 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-pent-4-ynylpropanamide is sourced from PubChem (CID 106221891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).