3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one

C11H19NO2 — CID 56957287

IUPAC3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CC(CCO)CC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-10(5-8-13)9-11(14)12-6-3-4-7-12/h2,10,13H,1,3-9H2
InChIKeyOPQDOMVCZMNPBG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds5

About 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one

3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 56957287) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID56957287
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CC(CCO)CC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-10(5-8-13)9-11(14)12-6-3-4-7-12/h2,10,13H,1,3-9H2
InChIKeyOPQDOMVCZMNPBG-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-2-methylpent-4-en-1-one
CID 12619540
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619541
(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
CID 10797544
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619538
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
(3R,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)-3-prop-2-enylpyrrolidin-2-one
CID 57171460
(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 118867110
1-(3-Hydroxypropyl)-3-prop-2-enylpyrrolidin-2-one
CID 141875080
4-(2-Hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one
CID 153281030
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpent-4-en-1-one
CID 10703078
(2R,4R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethylhept-6-en-1-one
CID 14704752

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one (CID 56957287) is 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one is C=CC(CCO)CC(=O)N1CCCC1.
What is the InChIKey of 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is OPQDOMVCZMNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10(5-8-13)9-11(14)12-6-3-4-7-12/h2,10,13H,1,3-9H2.
What are the key properties of 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one?
3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 56957287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).