1-(3-propyloxolan-3-yl)pyrrolidin-3-one

C11H19NO2 — CID 130778763

IUPAC1-(3-propyloxolan-3-yl)pyrrolidin-3-one
SMILESCCCC1(N2CCC(=O)C2)CCOC1
InChIInChI=1S/C11H19NO2/c1-2-4-11(5-7-14-9-11)12-6-3-10(13)8-12/h2-9H2,1H3
InChIKeyOWMCUIHUUPDXQD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-propyloxolan-3-yl)pyrrolidin-3-one

1-(3-propyloxolan-3-yl)pyrrolidin-3-one (PubChem CID 130778763) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-propyloxolan-3-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3-propyloxolan-3-yl)pyrrolidin-3-one
PubChem CID130778763
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-propyloxolan-3-yl)pyrrolidin-3-one
SMILESCCCC1(N2CCC(=O)C2)CCOC1
InChIInChI=1S/C11H19NO2/c1-2-4-11(5-7-14-9-11)12-6-3-10(13)8-12/h2-9H2,1H3
InChIKeyOWMCUIHUUPDXQD-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335770
1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
CID 165461992
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
6-methyl-2-oxa-6-azaspiro[4.5]decan-9-one
CID 131616804
[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335341
1-(3-ethyloxolan-3-yl)piperazine
CID 131070991
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
CID 63335447
[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
CID 130874622
(3-pyrrolidin-1-yloxolan-3-yl)methanol
CID 131165992
4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one
CID 68693149
(3-thiomorpholin-4-yloxolan-3-yl)methanamine
CID 63335224

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyloxolan-3-yl)pyrrolidin-3-one?
The IUPAC name of 1-(3-propyloxolan-3-yl)pyrrolidin-3-one (CID 130778763) is 1-(3-propyloxolan-3-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3-propyloxolan-3-yl)pyrrolidin-3-one?
The canonical SMILES for 1-(3-propyloxolan-3-yl)pyrrolidin-3-one is CCCC1(N2CCC(=O)C2)CCOC1.
What is the InChIKey of 1-(3-propyloxolan-3-yl)pyrrolidin-3-one?
The InChIKey is OWMCUIHUUPDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-4-11(5-7-14-9-11)12-6-3-10(13)8-12/h2-9H2,1H3.
What are the key properties of 1-(3-propyloxolan-3-yl)pyrrolidin-3-one?
1-(3-propyloxolan-3-yl)pyrrolidin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyloxolan-3-yl)pyrrolidin-3-one is sourced from PubChem (CID 130778763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).