2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide

C11H19N3O — CID 79605383

IUPAC2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
SMILESCCn1c(C)cc(CNCC(N)=O)c1C
InChIInChI=1S/C11H19N3O/c1-4-14-8(2)5-10(9(14)3)6-13-7-11(12)15/h5,13H,4,6-7H2,1-3H3,(H2,12,15)
InChIKeyBVWMRERZIXBJBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds5

About 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide

2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide (PubChem CID 79605383) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
PubChem CID79605383
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
SMILESCCn1c(C)cc(CNCC(N)=O)c1C
InChIInChI=1S/C11H19N3O/c1-4-14-8(2)5-10(9(14)3)6-13-7-11(12)15/h5,13H,4,6-7H2,1-3H3,(H2,12,15)
InChIKeyBVWMRERZIXBJBM-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The IUPAC name of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide (CID 79605383) is 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The canonical SMILES for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide is CCn1c(C)cc(CNCC(N)=O)c1C.
What is the InChIKey of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
The InChIKey is BVWMRERZIXBJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14-8(2)5-10(9(14)3)6-13-7-11(12)15/h5,13H,4,6-7H2,1-3H3,(H2,12,15).
What are the key properties of 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide?
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide is sourced from PubChem (CID 79605383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).