3-(ethylamino)propyl prop-2-enoate

C8H15NO2 — CID 18325637

IUPAC3-(ethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCC
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-5-6-9-4-2/h3,9H,1,4-7H2,2H3
InChIKeyXEVJUECHFCQBPK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

About 3-(ethylamino)propyl prop-2-enoate

3-(ethylamino)propyl prop-2-enoate (PubChem CID 18325637) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(ethylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(ethylamino)propyl prop-2-enoate
PubChem CID18325637
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(ethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCC
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-5-6-9-4-2/h3,9H,1,4-7H2,2H3
InChIKeyXEVJUECHFCQBPK-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
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 3-(ethylamino)propyl prop-2-enoate?
The IUPAC name of 3-(ethylamino)propyl prop-2-enoate (CID 18325637) is 3-(ethylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(ethylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(ethylamino)propyl prop-2-enoate is C=CC(=O)OCCCNCC.
What is the InChIKey of 3-(ethylamino)propyl prop-2-enoate?
The InChIKey is XEVJUECHFCQBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(10)11-7-5-6-9-4-2/h3,9H,1,4-7H2,2H3.
What are the key properties of 3-(ethylamino)propyl prop-2-enoate?
3-(ethylamino)propyl prop-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propyl prop-2-enoate is sourced from PubChem (CID 18325637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).