ethyl 3-[bis(prop-2-enyl)amino]propanoate

C11H19NO2 — CID 60649442

IUPACethyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OCC
InChIInChI=1S/C11H19NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-5H,1-2,6-10H2,3H3
InChIKeyTXWQNDRRYHNBOE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds8

About ethyl 3-[bis(prop-2-enyl)amino]propanoate

ethyl 3-[bis(prop-2-enyl)amino]propanoate (PubChem CID 60649442) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 3-[bis(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[bis(prop-2-enyl)amino]propanoate
PubChem CID60649442
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OCC
InChIInChI=1S/C11H19NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-5H,1-2,6-10H2,3H3
InChIKeyTXWQNDRRYHNBOE-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(prop-2-enyl)amino]propanoate?
The IUPAC name of ethyl 3-[bis(prop-2-enyl)amino]propanoate (CID 60649442) is ethyl 3-[bis(prop-2-enyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[bis(prop-2-enyl)amino]propanoate?
The canonical SMILES for ethyl 3-[bis(prop-2-enyl)amino]propanoate is C=CCN(CC=C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[bis(prop-2-enyl)amino]propanoate?
The InChIKey is TXWQNDRRYHNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-5H,1-2,6-10H2,3H3.
What are the key properties of ethyl 3-[bis(prop-2-enyl)amino]propanoate?
ethyl 3-[bis(prop-2-enyl)amino]propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 60649442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).