2-(3-bromopyrrol-1-yl)acetamide

C6H7BrN2O — CID 175127422

IUPAC2-(3-bromopyrrol-1-yl)acetamide
SMILESNC(=O)Cn1ccc(Br)c1
InChIInChI=1S/C6H7BrN2O/c7-5-1-2-9(3-5)4-6(8)10/h1-3H,4H2,(H2,8,10)
InChIKeySDYOCXZMMZSFOF-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.74
Rot. Bonds2

About 2-(3-bromopyrrol-1-yl)acetamide

2-(3-bromopyrrol-1-yl)acetamide (PubChem CID 175127422) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-(3-bromopyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromopyrrol-1-yl)acetamide
PubChem CID175127422
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-(3-bromopyrrol-1-yl)acetamide
SMILESNC(=O)Cn1ccc(Br)c1
InChIInChI=1S/C6H7BrN2O/c7-5-1-2-9(3-5)4-6(8)10/h1-3H,4H2,(H2,8,10)
InChIKeySDYOCXZMMZSFOF-UHFFFAOYSA-N
XLogP0.74
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrrol-1-yl)acetamide?
The IUPAC name of 2-(3-bromopyrrol-1-yl)acetamide (CID 175127422) is 2-(3-bromopyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(3-bromopyrrol-1-yl)acetamide?
The canonical SMILES for 2-(3-bromopyrrol-1-yl)acetamide is NC(=O)Cn1ccc(Br)c1.
What is the InChIKey of 2-(3-bromopyrrol-1-yl)acetamide?
The InChIKey is SDYOCXZMMZSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-5-1-2-9(3-5)4-6(8)10/h1-3H,4H2,(H2,8,10).
What are the key properties of 2-(3-bromopyrrol-1-yl)acetamide?
2-(3-bromopyrrol-1-yl)acetamide has a molecular weight of 203.04 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrrol-1-yl)acetamide is sourced from PubChem (CID 175127422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).