1-(2-aminopyrrol-2-yl)ethanone

C6H8N2O — CID 156698999

IUPAC1-(2-aminopyrrol-2-yl)ethanone
SMILESCC(=O)C1(N)C=CC=N1
InChIInChI=1S/C6H8N2O/c1-5(9)6(7)3-2-4-8-6/h2-4H,7H2,1H3
InChIKeyFIZDRQMDHVQEMN-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.13
Rot. Bonds1

About 1-(2-aminopyrrol-2-yl)ethanone

1-(2-aminopyrrol-2-yl)ethanone (PubChem CID 156698999) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(2-aminopyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminopyrrol-2-yl)ethanone
PubChem CID156698999
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-(2-aminopyrrol-2-yl)ethanone
SMILESCC(=O)C1(N)C=CC=N1
InChIInChI=1S/C6H8N2O/c1-5(9)6(7)3-2-4-8-6/h2-4H,7H2,1H3
InChIKeyFIZDRQMDHVQEMN-UHFFFAOYSA-N
XLogP-0.13
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrrol-2-yl)ethanone?
The IUPAC name of 1-(2-aminopyrrol-2-yl)ethanone (CID 156698999) is 1-(2-aminopyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminopyrrol-2-yl)ethanone?
The canonical SMILES for 1-(2-aminopyrrol-2-yl)ethanone is CC(=O)C1(N)C=CC=N1.
What is the InChIKey of 1-(2-aminopyrrol-2-yl)ethanone?
The InChIKey is FIZDRQMDHVQEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)6(7)3-2-4-8-6/h2-4H,7H2,1H3.
What are the key properties of 1-(2-aminopyrrol-2-yl)ethanone?
1-(2-aminopyrrol-2-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrrol-2-yl)ethanone is sourced from PubChem (CID 156698999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).