4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide

C16H20N2O3 — CID 170572756

IUPAC4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=C/C=C\C1=C(C=C)CN(C(C)CCC(=O)NC=O)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-6-7-14-13(5-2)10-18(16(14)21)12(3)8-9-15(20)17-11-19/h4-7,11-12H,1-2,8-10H2,3H3,(H,17,19,20)/b7-6-
InChIKeySLWRXFWTXBFUNE-SREVYHEPSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds8

About 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide

4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide (PubChem CID 170572756) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
PubChem CID170572756
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
SMILESC=C/C=C\C1=C(C=C)CN(C(C)CCC(=O)NC=O)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-6-7-14-13(5-2)10-18(16(14)21)12(3)8-9-15(20)17-11-19/h4-7,11-12H,1-2,8-10H2,3H3,(H,17,19,20)/b7-6-
InChIKeySLWRXFWTXBFUNE-SREVYHEPSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The IUPAC name of 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide (CID 170572756) is 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide.
What is the SMILES notation for 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The canonical SMILES for 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide is C=C/C=C\C1=C(C=C)CN(C(C)CCC(=O)NC=O)C1=O.
What is the InChIKey of 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
The InChIKey is SLWRXFWTXBFUNE-SREVYHEPSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-6-7-14-13(5-2)10-18(16(14)21)12(3)8-9-15(20)17-11-19/h4-7,11-12H,1-2,8-10H2,3H3,(H,17,19,20)/b7-6-.
What are the key properties of 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide?
4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide has a molecular weight of 288.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide is sourced from PubChem (CID 170572756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).