N-(hydroxymethoxymethyl)prop-2-enamide

C5H9NO3 — CID 141481859

IUPACN-(hydroxymethoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCO
InChIInChI=1S/C5H9NO3/c1-2-5(8)6-3-9-4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKeyUBINXYRRMXTXNT-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.79
Rot. Bonds4

About N-(hydroxymethoxymethyl)prop-2-enamide

N-(hydroxymethoxymethyl)prop-2-enamide (PubChem CID 141481859) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(hydroxymethoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethoxymethyl)prop-2-enamide
PubChem CID141481859
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(hydroxymethoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCO
InChIInChI=1S/C5H9NO3/c1-2-5(8)6-3-9-4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKeyUBINXYRRMXTXNT-UHFFFAOYSA-N
XLogP-0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(hydroxymethoxymethyl)prop-2-enamide?
The IUPAC name of N-(hydroxymethoxymethyl)prop-2-enamide (CID 141481859) is N-(hydroxymethoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(hydroxymethoxymethyl)prop-2-enamide?
The canonical SMILES for N-(hydroxymethoxymethyl)prop-2-enamide is C=CC(=O)NCOCO.
What is the InChIKey of N-(hydroxymethoxymethyl)prop-2-enamide?
The InChIKey is UBINXYRRMXTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-5(8)6-3-9-4-7/h2,7H,1,3-4H2,(H,6,8).
What are the key properties of N-(hydroxymethoxymethyl)prop-2-enamide?
N-(hydroxymethoxymethyl)prop-2-enamide has a molecular weight of 131.13 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethoxymethyl)prop-2-enamide is sourced from PubChem (CID 141481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).