(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one

C11H17NO2 — CID 59052757

IUPAC(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCC(O)[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-3-5-10(13)9-6-7-11(14)12(9)8-4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10?/m0/s1
InChIKeyQTBBADMCIGZELZ-RGURZIINSA-N
MW195.26 g/mol
LogP1.10
Rot. Bonds5

About (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one

(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 59052757) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID59052757
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCC(O)[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-3-5-10(13)9-6-7-11(14)12(9)8-4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10?/m0/s1
InChIKeyQTBBADMCIGZELZ-RGURZIINSA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one (CID 59052757) is (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one is C=CCC(O)[C@@H]1CCC(=O)N1CC=C.
What is the InChIKey of (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is QTBBADMCIGZELZ-RGURZIINSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10(13)9-6-7-11(14)12(9)8-4-2/h3-4,9-10,13H,1-2,5-8H2/t9-,10?/m0/s1.
What are the key properties of (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one?
(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 59052757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).