2-[formyl(prop-2-enyl)amino]ethyl acetate

C8H13NO3 — CID 135017546

IUPAC2-[formyl(prop-2-enyl)amino]ethyl acetate
SMILESC=CCN(C=O)CCOC(C)=O
InChIInChI=1S/C8H13NO3/c1-3-4-9(7-10)5-6-12-8(2)11/h3,7H,1,4-6H2,2H3
InChIKeyROKCUSFRBGUTPO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.19
Rot. Bonds6

About 2-[formyl(prop-2-enyl)amino]ethyl acetate

2-[formyl(prop-2-enyl)amino]ethyl acetate (PubChem CID 135017546) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[formyl(prop-2-enyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[formyl(prop-2-enyl)amino]ethyl acetate
PubChem CID135017546
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-[formyl(prop-2-enyl)amino]ethyl acetate
SMILESC=CCN(C=O)CCOC(C)=O
InChIInChI=1S/C8H13NO3/c1-3-4-9(7-10)5-6-12-8(2)11/h3,7H,1,4-6H2,2H3
InChIKeyROKCUSFRBGUTPO-UHFFFAOYSA-N
XLogP0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[formyl(prop-2-enyl)amino]ethyl acetate 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 2-[formyl(prop-2-enyl)amino]ethyl acetate?
The IUPAC name of 2-[formyl(prop-2-enyl)amino]ethyl acetate (CID 135017546) is 2-[formyl(prop-2-enyl)amino]ethyl acetate.
What is the SMILES notation for 2-[formyl(prop-2-enyl)amino]ethyl acetate?
The canonical SMILES for 2-[formyl(prop-2-enyl)amino]ethyl acetate is C=CCN(C=O)CCOC(C)=O.
What is the InChIKey of 2-[formyl(prop-2-enyl)amino]ethyl acetate?
The InChIKey is ROKCUSFRBGUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-4-9(7-10)5-6-12-8(2)11/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-[formyl(prop-2-enyl)amino]ethyl acetate?
2-[formyl(prop-2-enyl)amino]ethyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(prop-2-enyl)amino]ethyl acetate is sourced from PubChem (CID 135017546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).