5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one

C8H11N3O2 — CID 170912942

IUPAC5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESO=C1CCCN1Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C8H11N3O2/c12-7-4-6(9-10-7)5-11-3-1-2-8(11)13/h4H,1-3,5H2,(H2,9,10,12)
InChIKeyJWGKJFFSKCIPQC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.17
Rot. Bonds2

About 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one

5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 170912942) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one
PubChem CID170912942
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one
SMILESO=C1CCCN1Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C8H11N3O2/c12-7-4-6(9-10-7)5-11-3-1-2-8(11)13/h4H,1-3,5H2,(H2,9,10,12)
InChIKeyJWGKJFFSKCIPQC-UHFFFAOYSA-N
XLogP-0.17
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one (CID 170912942) is 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one is O=C1CCCN1Cc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is JWGKJFFSKCIPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-4-6(9-10-7)5-11-3-1-2-8(11)13/h4H,1-3,5H2,(H2,9,10,12).
What are the key properties of 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one?
5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 181.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 170912942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).