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

C8H12N2O — CID 19388586

IUPACN-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1c(C)c[nH]c1C
InChIInChI=1S/C8H12N2O/c1-5-4-9-6(2)8(5)10-7(3)11/h4,9H,1-3H3,(H,10,11)
InChIKeyRHWZESYQERMENC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.59
Rot. Bonds1

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

N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide (PubChem CID 19388586) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide
PubChem CID19388586
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1c(C)c[nH]c1C
InChIInChI=1S/C8H12N2O/c1-5-4-9-6(2)8(5)10-7(3)11/h4,9H,1-3H3,(H,10,11)
InChIKeyRHWZESYQERMENC-UHFFFAOYSA-N
XLogP1.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide (CID 19388586) is N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide is CC(=O)Nc1c(C)c[nH]c1C.
What is the InChIKey of N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is RHWZESYQERMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-4-9-6(2)8(5)10-7(3)11/h4,9H,1-3H3,(H,10,11).
What are the key properties of N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide?
N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 19388586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).