3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate

C11H17NO3 — CID 66609951

IUPAC3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate
SMILESCC=CC(=O)OCCCN1CCCC1=O
InChIInChI=1S/C11H17NO3/c1-2-5-11(14)15-9-4-8-12-7-3-6-10(12)13/h2,5H,3-4,6-9H2,1H3
InChIKeyXLOVJTWPGOCQCS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds5

About 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate

3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate (PubChem CID 66609951) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate
PubChem CID66609951
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate
SMILESCC=CC(=O)OCCCN1CCCC1=O
InChIInChI=1S/C11H17NO3/c1-2-5-11(14)15-9-4-8-12-7-3-6-10(12)13/h2,5H,3-4,6-9H2,1H3
InChIKeyXLOVJTWPGOCQCS-UHFFFAOYSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate (CID 66609951) is 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate is CC=CC(=O)OCCCN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate?
The InChIKey is XLOVJTWPGOCQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-5-11(14)15-9-4-8-12-7-3-6-10(12)13/h2,5H,3-4,6-9H2,1H3.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate?
3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propyl but-2-enoate is sourced from PubChem (CID 66609951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).