1-(1H-pyrrol-3-yl)piperazin-2-one

C8H11N3O — CID 83694967

IUPAC1-(1H-pyrrol-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1cc[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-6-10-3-4-11(8)7-1-2-9-5-7/h1-2,5,9-10H,3-4,6H2
InChIKeyHUOZJIORANPQJM-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.05
Rot. Bonds1

About 1-(1H-pyrrol-3-yl)piperazin-2-one

1-(1H-pyrrol-3-yl)piperazin-2-one (PubChem CID 83694967) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)piperazin-2-one
PubChem CID83694967
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1H-pyrrol-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1cc[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-6-10-3-4-11(8)7-1-2-9-5-7/h1-2,5,9-10H,3-4,6H2
InChIKeyHUOZJIORANPQJM-UHFFFAOYSA-N
XLogP-0.05
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 25226713
1-(2-fluoro-1H-pyrrol-3-yl)piperidine
CID 69114730
2,2,2-trifluoro-N-(1H-pyrrol-3-yl)acetamide
CID 87952623
2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
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[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)piperazin-2-one?
The IUPAC name of 1-(1H-pyrrol-3-yl)piperazin-2-one (CID 83694967) is 1-(1H-pyrrol-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)piperazin-2-one?
The canonical SMILES for 1-(1H-pyrrol-3-yl)piperazin-2-one is O=C1CNCCN1c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)piperazin-2-one?
The InChIKey is HUOZJIORANPQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-6-10-3-4-11(8)7-1-2-9-5-7/h1-2,5,9-10H,3-4,6H2.
What are the key properties of 1-(1H-pyrrol-3-yl)piperazin-2-one?
1-(1H-pyrrol-3-yl)piperazin-2-one has a molecular weight of 165.20 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)piperazin-2-one is sourced from PubChem (CID 83694967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).