N-(2-hydroxyethyl)but-3-enamide

C6H11NO2 — CID 62677590

IUPACN-(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCO
InChIInChI=1S/C6H11NO2/c1-2-3-6(9)7-4-5-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyLWNMWPSBZVRORN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.33
Rot. Bonds4

About N-(2-hydroxyethyl)but-3-enamide

N-(2-hydroxyethyl)but-3-enamide (PubChem CID 62677590) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)but-3-enamide
PubChem CID62677590
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)NCCO
InChIInChI=1S/C6H11NO2/c1-2-3-6(9)7-4-5-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyLWNMWPSBZVRORN-UHFFFAOYSA-N
XLogP-0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)but-3-enamide?
The IUPAC name of N-(2-hydroxyethyl)but-3-enamide (CID 62677590) is N-(2-hydroxyethyl)but-3-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)but-3-enamide?
The canonical SMILES for N-(2-hydroxyethyl)but-3-enamide is C=CCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)but-3-enamide?
The InChIKey is LWNMWPSBZVRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-6(9)7-4-5-8/h2,8H,1,3-5H2,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)but-3-enamide?
N-(2-hydroxyethyl)but-3-enamide has a molecular weight of 129.16 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)but-3-enamide is sourced from PubChem (CID 62677590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).