N-ethyl-N-(hydroxymethyl)prop-2-enamide

C6H11NO2 — CID 18366429

IUPACN-ethyl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CO
InChIInChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h3,8H,1,4-5H2,2H3
InChIKeyMPXLWAAGSMEXLD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.03
Rot. Bonds3

About N-ethyl-N-(hydroxymethyl)prop-2-enamide

N-ethyl-N-(hydroxymethyl)prop-2-enamide (PubChem CID 18366429) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-ethyl-N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(hydroxymethyl)prop-2-enamide
PubChem CID18366429
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-ethyl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CO
InChIInChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h3,8H,1,4-5H2,2H3
InChIKeyMPXLWAAGSMEXLD-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N,N-Diethylacrylamide
CID 17583
N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
2-Propenamide, N,N-bis(2-hydroxyethyl)-
CID 11116327
N-ethyl-N-methylprop-2-enamide
CID 10441673
n-Allyl-n-methylacrylamide
CID 12294821
N,N-Bis(hydroxymethyl)prop-2-enamide
CID 13710294
N-Methyl-N-propyl-2-propenamide
CID 14204073
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-allyl-N-(2-hydroxyethyl)acrylamide
CID 87249562
acryl N-hydroxyethyl acrylamide
CID 87520585
N-Methyl-N-(prop-2-enoyl)prop-2-enamide
CID 11040775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(hydroxymethyl)prop-2-enamide (CID 18366429) is N-ethyl-N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(hydroxymethyl)prop-2-enamide is C=CC(=O)N(CC)CO.
What is the InChIKey of N-ethyl-N-(hydroxymethyl)prop-2-enamide?
The InChIKey is MPXLWAAGSMEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(9)7(4-2)5-8/h3,8H,1,4-5H2,2H3.
What are the key properties of N-ethyl-N-(hydroxymethyl)prop-2-enamide?
N-ethyl-N-(hydroxymethyl)prop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 18366429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).