ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate

C14H27NO2 — CID 90429978

IUPACethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate
SMILESC=CC[C@@H](CCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C14H27NO2/c1-5-10-13(14(16)17-8-4)11-9-12-15(6-2)7-3/h5,13H,1,6-12H2,2-4H3/t13-/m0/s1
InChIKeyFYCPQQWGKNIEQV-ZDUSSCGKSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds10

About ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate

ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate (PubChem CID 90429978) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate
PubChem CID90429978
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate
SMILESC=CC[C@@H](CCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C14H27NO2/c1-5-10-13(14(16)17-8-4)11-9-12-15(6-2)7-3/h5,13H,1,6-12H2,2-4H3/t13-/m0/s1
InChIKeyFYCPQQWGKNIEQV-ZDUSSCGKSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.86
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 (2R)-2-[3-(diethylamino)propyl]pent-4-enoate?
The IUPAC name of ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate (CID 90429978) is ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate?
The canonical SMILES for ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate is C=CC[C@@H](CCCN(CC)CC)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate?
The InChIKey is FYCPQQWGKNIEQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-10-13(14(16)17-8-4)11-9-12-15(6-2)7-3/h5,13H,1,6-12H2,2-4H3/t13-/m0/s1.
What are the key properties of ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate?
ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate has a molecular weight of 241.37 g/mol, XLogP of 2.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-(diethylamino)propyl]pent-4-enoate is sourced from PubChem (CID 90429978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).