6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one

C11H21NO2 — CID 106801627

IUPAC6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCC(C)(O)C1
InChIInChI=1S/C11H21NO2/c1-3-10(13)5-4-7-12-8-6-11(2,14)9-12/h14H,3-9H2,1-2H3
InChIKeyKVDSTIUBGBZEJO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds5

About 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one

6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one (PubChem CID 106801627) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
PubChem CID106801627
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCC(C)(O)C1
InChIInChI=1S/C11H21NO2/c1-3-10(13)5-4-7-12-8-6-11(2,14)9-12/h14H,3-9H2,1-2H3
InChIKeyKVDSTIUBGBZEJO-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one?
The IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one (CID 106801627) is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one.
What is the SMILES notation for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one?
The canonical SMILES for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one is CCC(=O)CCCN1CCC(C)(O)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one?
The InChIKey is KVDSTIUBGBZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(13)5-4-7-12-8-6-11(2,14)9-12/h14H,3-9H2,1-2H3.
What are the key properties of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one?
6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one is sourced from PubChem (CID 106801627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).