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

C8H12N2O — CID 82490394

IUPAC2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(N)=O)c(C)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-7(4-8(9)11)6(2)10-5/h3,10H,4H2,1-2H3,(H2,9,11)
InChIKeyULOMTCXMMFUIEE-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.66
Rot. Bonds2

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

2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide (PubChem CID 82490394) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
PubChem CID82490394
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(N)=O)c(C)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-7(4-8(9)11)6(2)10-5/h3,10H,4H2,1-2H3,(H2,9,11)
InChIKeyULOMTCXMMFUIEE-UHFFFAOYSA-N
XLogP0.66
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide (CID 82490394) is 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(N)=O)c(C)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is ULOMTCXMMFUIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-3-7(4-8(9)11)6(2)10-5/h3,10H,4H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 82490394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).