2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide

C10H16N2O — CID 118683549

IUPAC2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide
SMILESCCc1c(C)[nH]c(CC(N)=O)c1C
InChIInChI=1S/C10H16N2O/c1-4-8-6(2)9(5-10(11)13)12-7(8)3/h12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyWOQFKOGZJIBEFH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide

2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide (PubChem CID 118683549) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide
PubChem CID118683549
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide
SMILESCCc1c(C)[nH]c(CC(N)=O)c1C
InChIInChI=1S/C10H16N2O/c1-4-8-6(2)9(5-10(11)13)12-7(8)3/h12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyWOQFKOGZJIBEFH-UHFFFAOYSA-N
XLogP1.22
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide (CID 118683549) is 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide is CCc1c(C)[nH]c(CC(N)=O)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide?
The InChIKey is WOQFKOGZJIBEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8-6(2)9(5-10(11)13)12-7(8)3/h12H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide?
2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 118683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).