prop-2-enyl 3-(diethylamino)propanoate

C10H19NO2 — CID 12794321

IUPACprop-2-enyl 3-(diethylamino)propanoate
SMILESC=CCOC(=O)CCN(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-9-13-10(12)7-8-11(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyQFPZPMNBXVMAMB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds7

About prop-2-enyl 3-(diethylamino)propanoate

prop-2-enyl 3-(diethylamino)propanoate (PubChem CID 12794321) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is prop-2-enyl 3-(diethylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(diethylamino)propanoate
PubChem CID12794321
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameprop-2-enyl 3-(diethylamino)propanoate
SMILESC=CCOC(=O)CCN(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-9-13-10(12)7-8-11(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyQFPZPMNBXVMAMB-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
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 prop-2-enyl 3-(diethylamino)propanoate?
The IUPAC name of prop-2-enyl 3-(diethylamino)propanoate (CID 12794321) is prop-2-enyl 3-(diethylamino)propanoate.
What is the SMILES notation for prop-2-enyl 3-(diethylamino)propanoate?
The canonical SMILES for prop-2-enyl 3-(diethylamino)propanoate is C=CCOC(=O)CCN(CC)CC.
What is the InChIKey of prop-2-enyl 3-(diethylamino)propanoate?
The InChIKey is QFPZPMNBXVMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-13-10(12)7-8-11(5-2)6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of prop-2-enyl 3-(diethylamino)propanoate?
prop-2-enyl 3-(diethylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(diethylamino)propanoate is sourced from PubChem (CID 12794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).