2-methoxyiminocyclopent-4-ene-1,3-dione

C6H5NO3 — CID 144731310

IUPAC2-methoxyiminocyclopent-4-ene-1,3-dione
SMILESCON=c1c(=O)ccc1=O
InChIInChI=1S/C6H5NO3/c1-10-7-6-4(8)2-3-5(6)9/h2-3H,1H3
InChIKeyBLWPTGZDMNYWNP-UHFFFAOYSA-N
MW139.11 g/mol
LogP-1.26
Rot. Bonds1

About 2-methoxyiminocyclopent-4-ene-1,3-dione

2-methoxyiminocyclopent-4-ene-1,3-dione (PubChem CID 144731310) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-methoxyiminocyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-methoxyiminocyclopent-4-ene-1,3-dione
PubChem CID144731310
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-methoxyiminocyclopent-4-ene-1,3-dione
SMILESCON=c1c(=O)ccc1=O
InChIInChI=1S/C6H5NO3/c1-10-7-6-4(8)2-3-5(6)9/h2-3H,1H3
InChIKeyBLWPTGZDMNYWNP-UHFFFAOYSA-N
XLogP-1.26
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyiminocyclopent-4-ene-1,3-dione?
The IUPAC name of 2-methoxyiminocyclopent-4-ene-1,3-dione (CID 144731310) is 2-methoxyiminocyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-methoxyiminocyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-methoxyiminocyclopent-4-ene-1,3-dione is CON=c1c(=O)ccc1=O.
What is the InChIKey of 2-methoxyiminocyclopent-4-ene-1,3-dione?
The InChIKey is BLWPTGZDMNYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c1-10-7-6-4(8)2-3-5(6)9/h2-3H,1H3.
What are the key properties of 2-methoxyiminocyclopent-4-ene-1,3-dione?
2-methoxyiminocyclopent-4-ene-1,3-dione has a molecular weight of 139.11 g/mol, XLogP of -1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminocyclopent-4-ene-1,3-dione is sourced from PubChem (CID 144731310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).