ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate

C15H25NO4 — CID 11832927

IUPACethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\COC1CCCCO1)N1CCCC1
InChIInChI=1S/C15H25NO4/c1-2-18-14(17)11-13(16-8-4-5-9-16)12-20-15-7-3-6-10-19-15/h11,15H,2-10,12H2,1H3/b13-11+
InChIKeyGHBPSUFIEBNMPK-ACCUITESSA-N
MW283.37 g/mol
LogP2.07
Rot. Bonds6

About ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate

ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate (PubChem CID 11832927) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate
PubChem CID11832927
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\COC1CCCCO1)N1CCCC1
InChIInChI=1S/C15H25NO4/c1-2-18-14(17)11-13(16-8-4-5-9-16)12-20-15-7-3-6-10-19-15/h11,15H,2-10,12H2,1H3/b13-11+
InChIKeyGHBPSUFIEBNMPK-ACCUITESSA-N
XLogP2.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate?
The IUPAC name of ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate (CID 11832927) is ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate is CCOC(=O)/C=C(\COC1CCCCO1)N1CCCC1.
What is the InChIKey of ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate?
The InChIKey is GHBPSUFIEBNMPK-ACCUITESSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-18-14(17)11-13(16-8-4-5-9-16)12-20-15-7-3-6-10-19-15/h11,15H,2-10,12H2,1H3/b13-11+.
What are the key properties of ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate?
ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate has a molecular weight of 283.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(oxan-2-yloxy)-3-pyrrolidin-1-ylbut-2-enoate is sourced from PubChem (CID 11832927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).