(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one

C11H21NO2 — CID 168982413

IUPAC(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC[C@@](C)(O)CCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,14)7-6-10(13)12-8-4-5-9-12/h14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyAPINFBJCVGMXMP-LLVKDONJSA-N
MW199.29 g/mol
LogP1.55
Rot. Bonds4

About (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one

(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 168982413) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID168982413
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC[C@@](C)(O)CCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,14)7-6-10(13)12-8-4-5-9-12/h14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyAPINFBJCVGMXMP-LLVKDONJSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one (CID 168982413) is (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one is CC[C@@](C)(O)CCC(=O)N1CCCC1.
What is the InChIKey of (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is APINFBJCVGMXMP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,14)7-6-10(13)12-8-4-5-9-12/h14H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one?
(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 168982413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).