4-nitrosocyclopent-2-en-1-one

C5H5NO2 — CID 57107910

IUPAC4-nitrosocyclopent-2-en-1-one
SMILESO=NC1C=CC(=O)C1
InChIInChI=1S/C5H5NO2/c7-5-2-1-4(3-5)6-8/h1-2,4H,3H2
InChIKeyWAUBOPPQWJAPAW-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.65
Rot. Bonds1

About 4-nitrosocyclopent-2-en-1-one

4-nitrosocyclopent-2-en-1-one (PubChem CID 57107910) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-nitrosocyclopent-2-en-1-one.

Molecular Properties

Compound Name4-nitrosocyclopent-2-en-1-one
PubChem CID57107910
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name4-nitrosocyclopent-2-en-1-one
SMILESO=NC1C=CC(=O)C1
InChIInChI=1S/C5H5NO2/c7-5-2-1-4(3-5)6-8/h1-2,4H,3H2
InChIKeyWAUBOPPQWJAPAW-UHFFFAOYSA-N
XLogP0.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-nitrosocyclopent-2-en-1-one?
The IUPAC name of 4-nitrosocyclopent-2-en-1-one (CID 57107910) is 4-nitrosocyclopent-2-en-1-one.
What is the SMILES notation for 4-nitrosocyclopent-2-en-1-one?
The canonical SMILES for 4-nitrosocyclopent-2-en-1-one is O=NC1C=CC(=O)C1.
What is the InChIKey of 4-nitrosocyclopent-2-en-1-one?
The InChIKey is WAUBOPPQWJAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5-2-1-4(3-5)6-8/h1-2,4H,3H2.
What are the key properties of 4-nitrosocyclopent-2-en-1-one?
4-nitrosocyclopent-2-en-1-one has a molecular weight of 111.10 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosocyclopent-2-en-1-one is sourced from PubChem (CID 57107910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).