N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide

C13H20N2O2 — CID 71792680

IUPACN-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide
SMILESC=CCCC(=O)NCC#CCN1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-3-6-13(16)14-7-4-5-8-15-9-11-17-12-10-15/h2H,1,3,6-12H2,(H,14,16)
InChIKeyMCZWHORQSGYZBD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.40
Rot. Bonds5

About N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide

N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide (PubChem CID 71792680) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide
PubChem CID71792680
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide
SMILESC=CCCC(=O)NCC#CCN1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-3-6-13(16)14-7-4-5-8-15-9-11-17-12-10-15/h2H,1,3,6-12H2,(H,14,16)
InChIKeyMCZWHORQSGYZBD-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide (CID 71792680) is N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide is C=CCCC(=O)NCC#CCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide?
The InChIKey is MCZWHORQSGYZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-6-13(16)14-7-4-5-8-15-9-11-17-12-10-15/h2H,1,3,6-12H2,(H,14,16).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide?
N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide has a molecular weight of 236.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)pent-4-enamide is sourced from PubChem (CID 71792680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).