1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one

C11H21NO2 — CID 103726885

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-10(13)12-7-6-11(3,14)8-12/h9,14H,4-8H2,1-3H3
InChIKeyIWPXDIQFAPDGQY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 103726885) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID103726885
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-10(13)12-7-6-11(3,14)8-12/h9,14H,4-8H2,1-3H3
InChIKeyIWPXDIQFAPDGQY-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one (CID 103726885) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is IWPXDIQFAPDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)4-5-10(13)12-7-6-11(3,14)8-12/h9,14H,4-8H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 103726885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).