4-[ethyl(prop-2-enoyl)amino]butyl formate

C10H17NO3 — CID 129288059

IUPAC4-[ethyl(prop-2-enoyl)amino]butyl formate
SMILESC=CC(=O)N(CC)CCCCOC=O
InChIInChI=1S/C10H17NO3/c1-3-10(13)11(4-2)7-5-6-8-14-9-12/h3,9H,1,4-8H2,2H3
InChIKeyJAKJMXGKHLUVDP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds8

About 4-[ethyl(prop-2-enoyl)amino]butyl formate

4-[ethyl(prop-2-enoyl)amino]butyl formate (PubChem CID 129288059) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[ethyl(prop-2-enoyl)amino]butyl formate.

Molecular Properties

Compound Name4-[ethyl(prop-2-enoyl)amino]butyl formate
PubChem CID129288059
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[ethyl(prop-2-enoyl)amino]butyl formate
SMILESC=CC(=O)N(CC)CCCCOC=O
InChIInChI=1S/C10H17NO3/c1-3-10(13)11(4-2)7-5-6-8-14-9-12/h3,9H,1,4-8H2,2H3
InChIKeyJAKJMXGKHLUVDP-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(prop-2-enoyl)amino]butyl formate?
The IUPAC name of 4-[ethyl(prop-2-enoyl)amino]butyl formate (CID 129288059) is 4-[ethyl(prop-2-enoyl)amino]butyl formate.
What is the SMILES notation for 4-[ethyl(prop-2-enoyl)amino]butyl formate?
The canonical SMILES for 4-[ethyl(prop-2-enoyl)amino]butyl formate is C=CC(=O)N(CC)CCCCOC=O.
What is the InChIKey of 4-[ethyl(prop-2-enoyl)amino]butyl formate?
The InChIKey is JAKJMXGKHLUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-10(13)11(4-2)7-5-6-8-14-9-12/h3,9H,1,4-8H2,2H3.
What are the key properties of 4-[ethyl(prop-2-enoyl)amino]butyl formate?
4-[ethyl(prop-2-enoyl)amino]butyl formate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(prop-2-enoyl)amino]butyl formate is sourced from PubChem (CID 129288059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).