2-(prop-2-enoylamino)ethyl prop-2-enoate

C8H11NO3 — CID 15084870

IUPAC2-(prop-2-enoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)NCCOC(=O)C=C
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-5-6-12-8(11)4-2/h3-4H,1-2,5-6H2,(H,9,10)
InChIKeyWHYNPZNWIJZXHX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.02
Rot. Bonds5

About 2-(prop-2-enoylamino)ethyl prop-2-enoate

2-(prop-2-enoylamino)ethyl prop-2-enoate (PubChem CID 15084870) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl prop-2-enoate
PubChem CID15084870
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(prop-2-enoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)NCCOC(=O)C=C
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-5-6-12-8(11)4-2/h3-4H,1-2,5-6H2,(H,9,10)
InChIKeyWHYNPZNWIJZXHX-UHFFFAOYSA-N
XLogP0.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(prop-2-enoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl prop-2-enoate (CID 15084870) is 2-(prop-2-enoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl prop-2-enoate is C=CC(=O)NCCOC(=O)C=C.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl prop-2-enoate?
The InChIKey is WHYNPZNWIJZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-7(10)9-5-6-12-8(11)4-2/h3-4H,1-2,5-6H2,(H,9,10).
What are the key properties of 2-(prop-2-enoylamino)ethyl prop-2-enoate?
2-(prop-2-enoylamino)ethyl prop-2-enoate has a molecular weight of 169.18 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 15084870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).