1-(prop-2-enylamino)ethyl formate

C6H11NO2 — CID 173307960

IUPAC1-(prop-2-enylamino)ethyl formate
SMILESC=CCNC(C)OC=O
InChIInChI=1S/C6H11NO2/c1-3-4-7-6(2)9-5-8/h3,5-7H,1,4H2,2H3
InChIKeyNSAZUTFFOPHWSX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.28
Rot. Bonds5

About 1-(prop-2-enylamino)ethyl formate

1-(prop-2-enylamino)ethyl formate (PubChem CID 173307960) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(prop-2-enylamino)ethyl formate.

Molecular Properties

Compound Name1-(prop-2-enylamino)ethyl formate
PubChem CID173307960
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(prop-2-enylamino)ethyl formate
SMILESC=CCNC(C)OC=O
InChIInChI=1S/C6H11NO2/c1-3-4-7-6(2)9-5-8/h3,5-7H,1,4H2,2H3
InChIKeyNSAZUTFFOPHWSX-UHFFFAOYSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(prop-2-enylamino)ethyl formate 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 1-(prop-2-enylamino)ethyl formate?
The IUPAC name of 1-(prop-2-enylamino)ethyl formate (CID 173307960) is 1-(prop-2-enylamino)ethyl formate.
What is the SMILES notation for 1-(prop-2-enylamino)ethyl formate?
The canonical SMILES for 1-(prop-2-enylamino)ethyl formate is C=CCNC(C)OC=O.
What is the InChIKey of 1-(prop-2-enylamino)ethyl formate?
The InChIKey is NSAZUTFFOPHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-7-6(2)9-5-8/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-(prop-2-enylamino)ethyl formate?
1-(prop-2-enylamino)ethyl formate has a molecular weight of 129.16 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)ethyl formate is sourced from PubChem (CID 173307960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).