3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide

C8H15NO3 — CID 140606123

IUPAC3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide
SMILESCC(O)=CC(=O)N(C)CCCO
InChIInChI=1S/C8H15NO3/c1-7(11)6-8(12)9(2)4-3-5-10/h6,10-11H,3-5H2,1-2H3
InChIKeyGJZUZDVXEZLEPH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.29
Rot. Bonds4

About 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide

3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide (PubChem CID 140606123) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide
PubChem CID140606123
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide
SMILESCC(O)=CC(=O)N(C)CCCO
InChIInChI=1S/C8H15NO3/c1-7(11)6-8(12)9(2)4-3-5-10/h6,10-11H,3-5H2,1-2H3
InChIKeyGJZUZDVXEZLEPH-UHFFFAOYSA-N
XLogP0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide (CID 140606123) is 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide is CC(O)=CC(=O)N(C)CCCO.
What is the InChIKey of 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide?
The InChIKey is GJZUZDVXEZLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(11)6-8(12)9(2)4-3-5-10/h6,10-11H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide?
3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-hydroxypropyl)-N-methylbut-2-enamide is sourced from PubChem (CID 140606123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).