2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide

C16H22N2O3 — CID 177003044

IUPAC2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(C=C(C)C)CN(C(CCC)C(=O)NC=O)C1=O
InChIInChI=1S/C16H22N2O3/c1-5-7-14(15(20)17-10-19)18-9-12(8-11(3)4)13(6-2)16(18)21/h6,8,10,14H,2,5,7,9H2,1,3-4H3,(H,17,19,20)
InChIKeyRYYOKBUJXTYXEG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds7

About 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide

2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide (PubChem CID 177003044) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Name2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
PubChem CID177003044
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=CC1=C(C=C(C)C)CN(C(CCC)C(=O)NC=O)C1=O
InChIInChI=1S/C16H22N2O3/c1-5-7-14(15(20)17-10-19)18-9-12(8-11(3)4)13(6-2)16(18)21/h6,8,10,14H,2,5,7,9H2,1,3-4H3,(H,17,19,20)
InChIKeyRYYOKBUJXTYXEG-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The IUPAC name of 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide (CID 177003044) is 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide.
What is the SMILES notation for 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The canonical SMILES for 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide is C=CC1=C(C=C(C)C)CN(C(CCC)C(=O)NC=O)C1=O.
What is the InChIKey of 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The InChIKey is RYYOKBUJXTYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-7-14(15(20)17-10-19)18-9-12(8-11(3)4)13(6-2)16(18)21/h6,8,10,14H,2,5,7,9H2,1,3-4H3,(H,17,19,20).
What are the key properties of 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide has a molecular weight of 290.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide is sourced from PubChem (CID 177003044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).