4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one

C11H19NO2 — CID 101499982

IUPAC4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one
SMILESC=CCOCCCC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-9-14-10-5-6-11(13)12-7-3-4-8-12/h2H,1,3-10H2
InChIKeyDYLSMGVWXWYBAC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds6

About 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one

4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 101499982) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one
PubChem CID101499982
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one
SMILESC=CCOCCCC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-9-14-10-5-6-11(13)12-7-3-4-8-12/h2H,1,3-10H2
InChIKeyDYLSMGVWXWYBAC-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
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-[(E)-pent-2-enoxy]-1-pyrrolidin-1-ylbutan-1-one
CID 45276220
1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one
CID 111561657
1-[(3R)-3-aminopyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one
CID 119411303
(4-oxo-4-piperidin-1-ylbutoxy) formate
CID 137457419
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one;hydrochloride
CID 119650343
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3785042
N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
CID 119447035

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one (CID 101499982) is 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one is C=CCOCCCC(=O)N1CCCC1.
What is the InChIKey of 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is DYLSMGVWXWYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9-14-10-5-6-11(13)12-7-3-4-8-12/h2H,1,3-10H2.
What are the key properties of 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one?
4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 101499982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).