ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate

C14H23NO4 — CID 139254711

IUPACethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate
SMILESC=C(COCCCC(=O)N1CCCC1)C(=O)OCC
InChIInChI=1S/C14H23NO4/c1-3-19-14(17)12(2)11-18-10-6-7-13(16)15-8-4-5-9-15/h2-11H2,1H3
InChIKeyYJUVWKTXNTWWLR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds8

About ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate

ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate (PubChem CID 139254711) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate
PubChem CID139254711
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate
SMILESC=C(COCCCC(=O)N1CCCC1)C(=O)OCC
InChIInChI=1S/C14H23NO4/c1-3-19-14(17)12(2)11-18-10-6-7-13(16)15-8-4-5-9-15/h2-11H2,1H3
InChIKeyYJUVWKTXNTWWLR-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate (CID 139254711) is ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate is C=C(COCCCC(=O)N1CCCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate?
The InChIKey is YJUVWKTXNTWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-19-14(17)12(2)11-18-10-6-7-13(16)15-8-4-5-9-15/h2-11H2,1H3.
What are the key properties of ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate?
ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutoxy)methyl]prop-2-enoate is sourced from PubChem (CID 139254711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).