1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one

C13H25NO3 — CID 114228792

IUPAC1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)C(C)(C)OC)C1
InChIInChI=1S/C13H25NO3/c1-5-6-10-7-12(16)14(8-10)9-11(15)13(2,3)17-4/h10-11,15H,5-9H2,1-4H3
InChIKeyDIOZGXWRIBHPOI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds6

About 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one

1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one (PubChem CID 114228792) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
PubChem CID114228792
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)C(C)(C)OC)C1
InChIInChI=1S/C13H25NO3/c1-5-6-10-7-12(16)14(8-10)9-11(15)13(2,3)17-4/h10-11,15H,5-9H2,1-4H3
InChIKeyDIOZGXWRIBHPOI-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512576
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512578
methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512586
potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
CID 104512875
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one (CID 114228792) is 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(O)C(C)(C)OC)C1.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one?
The InChIKey is DIOZGXWRIBHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-6-10-7-12(16)14(8-10)9-11(15)13(2,3)17-4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one?
1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one has a molecular weight of 243.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 114228792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).