(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

C13H23NO2 — CID 15722754

IUPAC(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(C)CCC(=O)N1[C@@H](CO)C(C)C
InChIInChI=1S/C13H23NO2/c1-5-7-13(4)8-6-12(16)14(13)11(9-15)10(2)3/h5,10-11,15H,1,6-9H2,2-4H3/t11-,13+/m0/s1
InChIKeyBVYCIZFZRPLBHO-WCQYABFASA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds5

About (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 15722754) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID15722754
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@]1(C)CCC(=O)N1[C@@H](CO)C(C)C
InChIInChI=1S/C13H23NO2/c1-5-7-13(4)8-6-12(16)14(13)11(9-15)10(2)3/h5,10-11,15H,1,6-9H2,2-4H3/t11-,13+/m0/s1
InChIKeyBVYCIZFZRPLBHO-WCQYABFASA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
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)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (CID 15722754) is (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@]1(C)CCC(=O)N1[C@@H](CO)C(C)C.
What is the InChIKey of (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is BVYCIZFZRPLBHO-WCQYABFASA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-7-13(4)8-6-12(16)14(13)11(9-15)10(2)3/h5,10-11,15H,1,6-9H2,2-4H3/t11-,13+/m0/s1.
What are the key properties of (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
(5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 15722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).