4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one

C8H10N2O — CID 167479306

IUPAC4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/N=C/C)CNC1=O
InChIInChI=1S/C8H10N2O/c1-3-6-7(9-4-2)5-10-8(6)11/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+
InChIKeyUFTYEXASIUPKBT-RUDMXATFSA-N
MW150.18 g/mol
LogP0.65
Rot. Bonds2

About 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one

4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 167479306) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID167479306
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/N=C/C)CNC1=O
InChIInChI=1S/C8H10N2O/c1-3-6-7(9-4-2)5-10-8(6)11/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+
InChIKeyUFTYEXASIUPKBT-RUDMXATFSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one (CID 167479306) is 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one is C=CC1=C(/N=C/C)CNC1=O.
What is the InChIKey of 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is UFTYEXASIUPKBT-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-6-7(9-4-2)5-10-8(6)11/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+.
What are the key properties of 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one has a molecular weight of 150.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 167479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).