4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one

C13H23NO2 — CID 45276220

IUPAC4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one
SMILESCC/C=C/COCCCC(=O)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-6-11-16-12-7-8-13(15)14-9-4-5-10-14/h3,6H,2,4-5,7-12H2,1H3/b6-3+
InChIKeyDISGAYIUESYWEF-ZZXKWVIFSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds7

About 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one

4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 45276220) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID45276220
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one
SMILESCC/C=C/COCCCC(=O)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-2-3-6-11-16-12-7-8-13(15)14-9-4-5-10-14/h3,6H,2,4-5,7-12H2,1H3/b6-3+
InChIKeyDISGAYIUESYWEF-ZZXKWVIFSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one
CID 101499982
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
(4-oxo-4-piperidin-1-ylbutoxy) formate
CID 137457419
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one (CID 45276220) is 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one is CC/C=C/COCCCC(=O)N1CCCC1.
What is the InChIKey of 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is DISGAYIUESYWEF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-6-11-16-12-7-8-13(15)14-9-4-5-10-14/h3,6H,2,4-5,7-12H2,1H3/b6-3+.
What are the key properties of 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one?
4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 45276220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).