(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one

C8H13NO2 — CID 10898931

IUPAC(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C[C@@H](C)[C@H](O)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-9-5-6(2)7(10)8(9)11/h3,6-7,10H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyMEVINRWLYKIELK-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.01
Rot. Bonds2

About (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one

(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one (PubChem CID 10898931) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one
PubChem CID10898931
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C[C@@H](C)[C@H](O)C1=O
InChIInChI=1S/C8H13NO2/c1-3-4-9-5-6(2)7(10)8(9)11/h3,6-7,10H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyMEVINRWLYKIELK-RQJHMYQMSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.01
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 (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one (CID 10898931) is (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one is C=CCN1C[C@@H](C)[C@H](O)C1=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is MEVINRWLYKIELK-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-9-5-6(2)7(10)8(9)11/h3,6-7,10H,1,4-5H2,2H3/t6-,7+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one?
(3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 10898931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).