2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

C12H19N3O — CID 66405103

IUPAC2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCc1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C12H19N3O/c1-13-8-11-4-7-14(9-11)10-12(16)15-5-2-3-6-15/h4,7,9,13H,2-3,5-6,8,10H2,1H3
InChIKeyFXMIGGPGBMQFMA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.83
Rot. Bonds4

About 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 66405103) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID66405103
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCc1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C12H19N3O/c1-13-8-11-4-7-14(9-11)10-12(16)15-5-2-3-6-15/h4,7,9,13H,2-3,5-6,8,10H2,1H3
InChIKeyFXMIGGPGBMQFMA-UHFFFAOYSA-N
XLogP0.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66400366
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 66403976
1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone
CID 66404328
1-(azepan-1-yl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]ethanone
CID 79105496
1-[1-[2-(azepan-1-yl)-2-oxoethyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79097587
2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 102916558
N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66406717
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 79097252
1-(azepan-1-yl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]ethanone
CID 79105113
1-(azepan-1-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]ethanone
CID 79109034
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
CID 66406506

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (CID 66405103) is 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is CNCc1ccn(CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is FXMIGGPGBMQFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-8-11-4-7-14(9-11)10-12(16)15-5-2-3-6-15/h4,7,9,13H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 221.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 66405103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).