(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

C11H19NO2 — CID 15722751

IUPAC(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(C)CCC(=O)N1[C@H](C)CO
InChIInChI=1S/C11H19NO2/c1-4-6-11(3)7-5-10(14)12(11)9(2)8-13/h4,9,13H,1,5-8H2,2-3H3/t9-,11+/m1/s1
InChIKeyPZMLICCSJXUZLC-KOLCDFICSA-N
MW197.28 g/mol
LogP1.32
Rot. Bonds4

About (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 15722751) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID15722751
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(C)CCC(=O)N1[C@H](C)CO
InChIInChI=1S/C11H19NO2/c1-4-6-11(3)7-5-10(14)12(11)9(2)8-13/h4,9,13H,1,5-8H2,2-3H3/t9-,11+/m1/s1
InChIKeyPZMLICCSJXUZLC-KOLCDFICSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (CID 15722751) is (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@@]1(C)CCC(=O)N1[C@H](C)CO.
What is the InChIKey of (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is PZMLICCSJXUZLC-KOLCDFICSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-11(3)7-5-10(14)12(11)9(2)8-13/h4,9,13H,1,5-8H2,2-3H3/t9-,11+/m1/s1.
What are the key properties of (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
(5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2R)-1-hydroxypropan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 15722751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).