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

C12H24N2O — CID 104511344

IUPAC1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCC(C)NC)C1
InChIInChI=1S/C12H24N2O/c1-4-5-11-8-12(15)14(9-11)7-6-10(2)13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyKYGLLBONXPZUFT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds6

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

1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one (PubChem CID 104511344) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
PubChem CID104511344
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCC(C)NC)C1
InChIInChI=1S/C12H24N2O/c1-4-5-11-8-12(15)14(9-11)7-6-10(2)13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyKYGLLBONXPZUFT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-5-sulfanylpentyl)-4-propylpyrrolidin-2-one
CID 104512882
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
1-(4-oxopentyl)-4-propylpyrrolidin-2-one
CID 104512085
methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
CID 104512875
1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
CID 62927722
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one (CID 104511344) is 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CCC(C)NC)C1.
What is the InChIKey of 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one?
The InChIKey is KYGLLBONXPZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-11-8-12(15)14(9-11)7-6-10(2)13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one?
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104511344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).