5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one

C11H21NO2 — CID 170029920

IUPAC5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)(O)CCCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,14)7-5-6-10(13)12-8-3-4-9-12/h14H,3-9H2,1-2H3
InChIKeyDMYCCTCQDAHXQD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.55
Rot. Bonds4

About 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one

5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 170029920) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID170029920
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)(O)CCCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,14)7-5-6-10(13)12-8-3-4-9-12/h14H,3-9H2,1-2H3
InChIKeyDMYCCTCQDAHXQD-UHFFFAOYSA-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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Related Compounds

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tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one (CID 170029920) is 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one is CC(C)(O)CCCC(=O)N1CCCC1.
What is the InChIKey of 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is DMYCCTCQDAHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,14)7-5-6-10(13)12-8-3-4-9-12/h14H,3-9H2,1-2H3.
What are the key properties of 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
5-hydroxy-5-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 5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 170029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).