(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one

C9H17NO2 — CID 58803025

IUPAC(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6-8,11H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyOSTNYICNJYDWNA-BRFYHDHCSA-N
MW171.24 g/mol
LogP0.62
Rot. Bonds2

About (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one

(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 58803025) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID58803025
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6-8,11H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyOSTNYICNJYDWNA-BRFYHDHCSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one (CID 58803025) is (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one is CC(O)[C@@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is OSTNYICNJYDWNA-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6-8,11H,4-5H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one?
(4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-hydroxyethyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 58803025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).