2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide

C11H19N3O — CID 79101742

IUPAC2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCNC(C)c1cccn1CC(C)C(N)=O
InChIInChI=1S/C11H19N3O/c1-8(11(12)15)7-14-6-4-5-10(14)9(2)13-3/h4-6,8-9,13H,7H2,1-3H3,(H2,12,15)
InChIKeyNTNCVWRNUMGLOW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds5

About 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide

2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide (PubChem CID 79101742) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
PubChem CID79101742
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
SMILESCNC(C)c1cccn1CC(C)C(N)=O
InChIInChI=1S/C11H19N3O/c1-8(11(12)15)7-14-6-4-5-10(14)9(2)13-3/h4-6,8-9,13H,7H2,1-3H3,(H2,12,15)
InChIKeyNTNCVWRNUMGLOW-UHFFFAOYSA-N
XLogP0.89
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The IUPAC name of 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide (CID 79101742) is 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The canonical SMILES for 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide is CNC(C)c1cccn1CC(C)C(N)=O.
What is the InChIKey of 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
The InChIKey is NTNCVWRNUMGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(11(12)15)7-14-6-4-5-10(14)9(2)13-3/h4-6,8-9,13H,7H2,1-3H3,(H2,12,15).
What are the key properties of 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide?
2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide has a molecular weight of 209.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 79101742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).