N-(2-hydroxy-1-methoxyethyl)prop-2-enamide

C6H11NO3 — CID 141301333

IUPACN-(2-hydroxy-1-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(CO)OC
InChIInChI=1S/C6H11NO3/c1-3-5(9)7-6(4-8)10-2/h3,6,8H,1,4H2,2H3,(H,7,9)
InChIKeyNNPZEODNTLZUDG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.75
Rot. Bonds4

About N-(2-hydroxy-1-methoxyethyl)prop-2-enamide

N-(2-hydroxy-1-methoxyethyl)prop-2-enamide (PubChem CID 141301333) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(2-hydroxy-1-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methoxyethyl)prop-2-enamide
PubChem CID141301333
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-(2-hydroxy-1-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(CO)OC
InChIInChI=1S/C6H11NO3/c1-3-5(9)7-6(4-8)10-2/h3,6,8H,1,4H2,2H3,(H,7,9)
InChIKeyNNPZEODNTLZUDG-UHFFFAOYSA-N
XLogP-0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methoxyethyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-1-methoxyethyl)prop-2-enamide (CID 141301333) is N-(2-hydroxy-1-methoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-1-methoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-1-methoxyethyl)prop-2-enamide is C=CC(=O)NC(CO)OC.
What is the InChIKey of N-(2-hydroxy-1-methoxyethyl)prop-2-enamide?
The InChIKey is NNPZEODNTLZUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(9)7-6(4-8)10-2/h3,6,8H,1,4H2,2H3,(H,7,9).
What are the key properties of N-(2-hydroxy-1-methoxyethyl)prop-2-enamide?
N-(2-hydroxy-1-methoxyethyl)prop-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 141301333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).