1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one

C13H21N3O — CID 66399198

IUPAC1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccn(C)c1
InChIInChI=1S/C13H21N3O/c1-11(9-16-6-3-4-13(16)17)14-8-12-5-7-15(2)10-12/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3
InChIKeySFWBDGCBDSGJCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 66399198) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID66399198
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccn(C)c1
InChIInChI=1S/C13H21N3O/c1-11(9-16-6-3-4-13(16)17)14-8-12-5-7-15(2)10-12/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3
InChIKeySFWBDGCBDSGJCI-UHFFFAOYSA-N
XLogP1.13
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
CID 60931463
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one (CID 66399198) is 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1ccn(C)c1.
What is the InChIKey of 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is SFWBDGCBDSGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(9-16-6-3-4-13(16)17)14-8-12-5-7-15(2)10-12/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 66399198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).