4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione

C10H9NO3 — CID 144731280

IUPAC4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione
SMILESC=Cc1c(C=C)c(=O)c(=NOC)c1=O
InChIInChI=1S/C10H9NO3/c1-4-6-7(5-2)10(13)8(9(6)12)11-14-3/h4-5H,1-2H2,3H3
InChIKeyGQIXLVNDADBCQZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.03
Rot. Bonds3

About 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione

4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione (PubChem CID 144731280) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione
PubChem CID144731280
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione
SMILESC=Cc1c(C=C)c(=O)c(=NOC)c1=O
InChIInChI=1S/C10H9NO3/c1-4-6-7(5-2)10(13)8(9(6)12)11-14-3/h4-5H,1-2H2,3H3
InChIKeyGQIXLVNDADBCQZ-UHFFFAOYSA-N
XLogP0.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.03
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 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione?
The IUPAC name of 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione (CID 144731280) is 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione?
The canonical SMILES for 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione is C=Cc1c(C=C)c(=O)c(=NOC)c1=O.
What is the InChIKey of 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione?
The InChIKey is GQIXLVNDADBCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-4-6-7(5-2)10(13)8(9(6)12)11-14-3/h4-5H,1-2H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione?
4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-methoxyiminocyclopent-4-ene-1,3-dione is sourced from PubChem (CID 144731280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).