N-[hydroxy(methoxy)methyl]prop-2-enamide

C5H9NO3 — CID 18690255

IUPACN-[hydroxy(methoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OC
InChIInChI=1S/C5H9NO3/c1-3-4(7)6-5(8)9-2/h3,5,8H,1H2,2H3,(H,6,7)
InChIKeyODXSZOIMGCUIEY-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.79
Rot. Bonds3

About N-[hydroxy(methoxy)methyl]prop-2-enamide

N-[hydroxy(methoxy)methyl]prop-2-enamide (PubChem CID 18690255) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-[hydroxy(methoxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy(methoxy)methyl]prop-2-enamide
PubChem CID18690255
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-[hydroxy(methoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OC
InChIInChI=1S/C5H9NO3/c1-3-4(7)6-5(8)9-2/h3,5,8H,1H2,2H3,(H,6,7)
InChIKeyODXSZOIMGCUIEY-UHFFFAOYSA-N
XLogP-0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.79
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-[hydroxy(methoxy)methyl]prop-2-enamide?
The IUPAC name of N-[hydroxy(methoxy)methyl]prop-2-enamide (CID 18690255) is N-[hydroxy(methoxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[hydroxy(methoxy)methyl]prop-2-enamide?
The canonical SMILES for N-[hydroxy(methoxy)methyl]prop-2-enamide is C=CC(=O)NC(O)OC.
What is the InChIKey of N-[hydroxy(methoxy)methyl]prop-2-enamide?
The InChIKey is ODXSZOIMGCUIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-4(7)6-5(8)9-2/h3,5,8H,1H2,2H3,(H,6,7).
What are the key properties of N-[hydroxy(methoxy)methyl]prop-2-enamide?
N-[hydroxy(methoxy)methyl]prop-2-enamide has a molecular weight of 131.13 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methoxy)methyl]prop-2-enamide is sourced from PubChem (CID 18690255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).