(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

C11H21NO2 — CID 59109327

IUPAC(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CO)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-10(5-11(12)14)4-9(3)7-13/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyFZOGQTNFVKXVHF-AXDSSHIGSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds4

About (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59109327) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID59109327
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(CO)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)12-6-10(5-11(12)14)4-9(3)7-13/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyFZOGQTNFVKXVHF-AXDSSHIGSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (CID 59109327) is (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is CC(CO)C[C@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is FZOGQTNFVKXVHF-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-6-10(5-11(12)14)4-9(3)7-13/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-hydroxy-2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59109327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).