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

C6H11NO2 — CID 11976962

IUPACN-(2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCCOC
InChIInChI=1S/C6H11NO2/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyKIHJKWNSLAKEPK-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.06
Rot. Bonds4

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

N-(2-methoxyethyl)prop-2-enamide (PubChem CID 11976962) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)prop-2-enamide
PubChem CID11976962
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCCOC
InChIInChI=1S/C6H11NO2/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyKIHJKWNSLAKEPK-UHFFFAOYSA-N
XLogP-0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of N-(2-methoxyethyl)prop-2-enamide (CID 11976962) is N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)prop-2-enamide is C=CC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is KIHJKWNSLAKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-(2-methoxyethyl)prop-2-enamide?
N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 11976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).