5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one

C12H21NO3 — CID 166670738

IUPAC5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one
SMILESCC(=O)C(C)CC(C)N1C(=O)CC(C)C1O
InChIInChI=1S/C12H21NO3/c1-7(10(4)14)5-9(3)13-11(15)6-8(2)12(13)16/h7-9,12,16H,5-6H2,1-4H3
InChIKeyJYQIHEXNKITZOE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.18
Rot. Bonds4

About 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one

5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one (PubChem CID 166670738) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one
PubChem CID166670738
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one
SMILESCC(=O)C(C)CC(C)N1C(=O)CC(C)C1O
InChIInChI=1S/C12H21NO3/c1-7(10(4)14)5-9(3)13-11(15)6-8(2)12(13)16/h7-9,12,16H,5-6H2,1-4H3
InChIKeyJYQIHEXNKITZOE-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one (CID 166670738) is 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one is CC(=O)C(C)CC(C)N1C(=O)CC(C)C1O.
What is the InChIKey of 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one?
The InChIKey is JYQIHEXNKITZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(10(4)14)5-9(3)13-11(15)6-8(2)12(13)16/h7-9,12,16H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one?
5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-1-(4-methyl-5-oxohexan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 166670738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).