1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one

C11H22N2O2 — CID 104511593

IUPAC1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)CNC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9-5-11(15)13(7-9)8-10(14)6-12-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyJBNBMSQMACDOBJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds6

About 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one

1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one (PubChem CID 104511593) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
PubChem CID104511593
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)CNC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9-5-11(15)13(7-9)8-10(14)6-12-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyJBNBMSQMACDOBJ-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
CID 114228792
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
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
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
CID 79507028
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512586
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669465

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one (CID 104511593) is 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(O)CNC)C1.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The InChIKey is JBNBMSQMACDOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-9-5-11(15)13(7-9)8-10(14)6-12-2/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one?
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104511593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).