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

C11H16N2O — CID 106230347

IUPAC2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide
SMILESC#CC(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h1,10,12H,5-7H2,2-3H3,(H,13,14)
InChIKeyKLQOOEPWGCOKMG-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.43
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide (PubChem CID 106230347) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide
PubChem CID106230347
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide
SMILESC#CC(CC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H16N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h1,10,12H,5-7H2,2-3H3,(H,13,14)
InChIKeyKLQOOEPWGCOKMG-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.43
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

(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide
CID 134574433
2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103188657
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-hex-1-yn-3-ylpropanamide
CID 106230627
2-(azetidin-3-ylidene)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 113550633
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-(butan-2-ylamino)-3-oxopropyl]propanamide
CID 113550894
2-(azetidin-3-ylidene)-N-[1-(diethylamino)propan-2-yl]propanamide
CID 113551019
2-(azetidin-3-ylidene)-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 114134093

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide (CID 106230347) is 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide is C#CC(CC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide?
The InChIKey is KLQOOEPWGCOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-10(5-2)13-11(14)8(3)9-6-12-7-9/h1,10,12H,5-7H2,2-3H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide?
2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide has a molecular weight of 192.26 g/mol, XLogP of 0.43, 3 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-1-yn-3-ylpropanamide is sourced from PubChem (CID 106230347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).