(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one

C8H15NO2 — CID 42259339

IUPAC(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](CO)CC1=O
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyHJRSONVKDMDDFC-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.24
Rot. Bonds2

About (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 42259339) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID42259339
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](CO)CC1=O
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyHJRSONVKDMDDFC-ZETCQYMHSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one (CID 42259339) is (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@@H](CO)CC1=O.
What is the InChIKey of (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is HJRSONVKDMDDFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 42259339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).