1-(4-acetyl-1H-pyrrol-3-yl)ethanone

C8H9NO2 — CID 4597438

IUPAC1-(4-acetyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c[nH]cc1C(C)=O
InChIInChI=1S/C8H9NO2/c1-5(10)7-3-9-4-8(7)6(2)11/h3-4,9H,1-2H3
InChIKeyOUJCBSHOCPFMKG-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.42
Rot. Bonds2

About 1-(4-acetyl-1H-pyrrol-3-yl)ethanone

1-(4-acetyl-1H-pyrrol-3-yl)ethanone (PubChem CID 4597438) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(4-acetyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-1H-pyrrol-3-yl)ethanone
PubChem CID4597438
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(4-acetyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1c[nH]cc1C(C)=O
InChIInChI=1S/C8H9NO2/c1-5(10)7-3-9-4-8(7)6(2)11/h3-4,9H,1-2H3
InChIKeyOUJCBSHOCPFMKG-UHFFFAOYSA-N
XLogP1.42
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(4-acetyl-1H-pyrrol-3-yl)ethanone (CID 4597438) is 1-(4-acetyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1c[nH]cc1C(C)=O.
What is the InChIKey of 1-(4-acetyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is OUJCBSHOCPFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5(10)7-3-9-4-8(7)6(2)11/h3-4,9H,1-2H3.
What are the key properties of 1-(4-acetyl-1H-pyrrol-3-yl)ethanone?
1-(4-acetyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 151.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 4597438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).