(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one

C10H17NO2 — CID 131275084

IUPAC(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=C[C@H](C)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)9(12)10(13)11-6-4-5-7-11/h3,8-9,12H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyCLDFCZPLTBERNV-DTWKUNHWSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds3

About (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one

(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 131275084) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID131275084
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=C[C@H](C)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)9(12)10(13)11-6-4-5-7-11/h3,8-9,12H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyCLDFCZPLTBERNV-DTWKUNHWSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
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 (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one (CID 131275084) is (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one is C=C[C@H](C)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is CLDFCZPLTBERNV-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)9(12)10(13)11-6-4-5-7-11/h3,8-9,12H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one?
(2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-3-methyl-1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 131275084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).