(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one

C12H23NO2 — CID 59109334

IUPAC(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CCO)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)13-8-11(7-12(13)15)6-10(3)4-5-14/h9-11,14H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyCQUICBVMEDQCJR-DTIOYNMSSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds5

About (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59109334) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID59109334
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CCO)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)13-8-11(7-12(13)15)6-10(3)4-5-14/h9-11,14H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyCQUICBVMEDQCJR-DTIOYNMSSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one (CID 59109334) is (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one is CC(CCO)C[C@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is CQUICBVMEDQCJR-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)13-8-11(7-12(13)15)6-10(3)4-5-14/h9-11,14H,4-8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59109334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).