4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one

C9H12N2O — CID 145127025

IUPAC4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/C)CN(C)C1=O
InChIInChI=1S/C9H12N2O/c1-4-7-8(10-5-2)6-11(3)9(7)12/h4-5H,1,6H2,2-3H3/b10-5+
InChIKeyZQIUSWPLUWFIID-BJMVGYQFSA-N
MW164.21 g/mol
LogP0.99
Rot. Bonds2

About 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one

4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one (PubChem CID 145127025) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
PubChem CID145127025
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/C)CN(C)C1=O
InChIInChI=1S/C9H12N2O/c1-4-7-8(10-5-2)6-11(3)9(7)12/h4-5H,1,6H2,2-3H3/b10-5+
InChIKeyZQIUSWPLUWFIID-BJMVGYQFSA-N
XLogP0.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
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-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one (CID 145127025) is 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one is C=CC1=C(/N=C/C)CN(C)C1=O.
What is the InChIKey of 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one?
The InChIKey is ZQIUSWPLUWFIID-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7-8(10-5-2)6-11(3)9(7)12/h4-5H,1,6H2,2-3H3/b10-5+.
What are the key properties of 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one?
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one has a molecular weight of 164.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 145127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).