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

C12H24N2O2 — CID 107506402

IUPAC1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(COC)NC)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-10-6-12(15)14(7-10)8-11(13-2)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyITLAEIIDLIHHNX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds7

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

1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one (PubChem CID 107506402) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
PubChem CID107506402
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(COC)NC)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-10-6-12(15)14(7-10)8-11(13-2)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyITLAEIIDLIHHNX-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
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-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
CID 114228792
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
4-methyl-1-[2-(methylamino)pentyl]pyrrolidin-2-one
CID 63104073
methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
CID 107506202
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506472
potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
CID 104512875
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one (CID 107506402) is 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(COC)NC)C1.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one?
The InChIKey is ITLAEIIDLIHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-10-6-12(15)14(7-10)8-11(13-2)9-16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one?
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 107506402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).