(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone

C12H23NOSe — CID 134905174

IUPAC(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone
SMILESCC(C)[C@](C)(O)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C12H23NOSe/c1-9(2)12(4,14)10(3)11(15)13-7-5-6-8-13/h9-10,14H,5-8H2,1-4H3/t10-,12+/m1/s1
InChIKeyNGZRDJLLMVNPDK-PWSUYJOCSA-N
MW276.28 g/mol
LogP1.42
Rot. Bonds4

About (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone

(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone (PubChem CID 134905174) has the molecular formula C12H23NOSe and a molecular weight of 276.28 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone
PubChem CID134905174
Molecular FormulaC12H23NOSe
Molecular Weight276.28 g/mol
Exact Mass277.09
IUPAC Name(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone
SMILESCC(C)[C@](C)(O)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C12H23NOSe/c1-9(2)12(4,14)10(3)11(15)13-7-5-6-8-13/h9-10,14H,5-8H2,1-4H3/t10-,12+/m1/s1
InChIKeyNGZRDJLLMVNPDK-PWSUYJOCSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone?
The IUPAC name of (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone (CID 134905174) is (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone.
What is the SMILES notation for (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone?
The canonical SMILES for (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone is CC(C)[C@](C)(O)[C@H](C)C(=[Se])N1CCCC1.
What is the InChIKey of (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone?
The InChIKey is NGZRDJLLMVNPDK-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H23NOSe/c1-9(2)12(4,14)10(3)11(15)13-7-5-6-8-13/h9-10,14H,5-8H2,1-4H3/t10-,12+/m1/s1.
What are the key properties of (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone?
(2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone has a molecular weight of 276.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2,3,4-trimethyl-1-pyrrolidin-1-ylpentane-1-selone is sourced from PubChem (CID 134905174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).