4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C11H15NO2 — CID 143991257

IUPAC4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(/C=C/OC)C(=O)N(C)C1
InChIInChI=1S/C11H15NO2/c1-4-5-9-8-12(2)11(13)10(9)6-7-14-3/h4-7H,8H2,1-3H3/b5-4-,7-6+
InChIKeyNVIFVCLASGHCCH-SCFJQAPRSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds3

About 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 143991257) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID143991257
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(/C=C/OC)C(=O)N(C)C1
InChIInChI=1S/C11H15NO2/c1-4-5-9-8-12(2)11(13)10(9)6-7-14-3/h4-7H,8H2,1-3H3/b5-4-,7-6+
InChIKeyNVIFVCLASGHCCH-SCFJQAPRSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 143991257) is 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C/C=C\C1=C(/C=C/OC)C(=O)N(C)C1.
What is the InChIKey of 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is NVIFVCLASGHCCH-SCFJQAPRSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-9-8-12(2)11(13)10(9)6-7-14-3/h4-7H,8H2,1-3H3/b5-4-,7-6+.
What are the key properties of 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 193.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 143991257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).