4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one

C9H11NO2 — CID 89214086

IUPAC4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one
SMILESC/C=C(N)\C=C/C1=CCOC1=O
InChIInChI=1S/C9H11NO2/c1-2-8(10)4-3-7-5-6-12-9(7)11/h2-5H,6,10H2,1H3/b4-3-,8-2+
InChIKeyHMIKIWMHEPAJQH-MARJDINYSA-N
MW165.19 g/mol
LogP0.89
Rot. Bonds2

About 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one

4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one (PubChem CID 89214086) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one
PubChem CID89214086
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one
SMILESC/C=C(N)\C=C/C1=CCOC1=O
InChIInChI=1S/C9H11NO2/c1-2-8(10)4-3-7-5-6-12-9(7)11/h2-5H,6,10H2,1H3/b4-3-,8-2+
InChIKeyHMIKIWMHEPAJQH-MARJDINYSA-N
XLogP0.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one?
The IUPAC name of 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one (CID 89214086) is 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one.
What is the SMILES notation for 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one?
The canonical SMILES for 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one is C/C=C(N)\C=C/C1=CCOC1=O.
What is the InChIKey of 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one?
The InChIKey is HMIKIWMHEPAJQH-MARJDINYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8(10)4-3-7-5-6-12-9(7)11/h2-5H,6,10H2,1H3/b4-3-,8-2+.
What are the key properties of 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one?
4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one has a molecular weight of 165.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3E)-3-aminopenta-1,3-dienyl]-2H-furan-5-one is sourced from PubChem (CID 89214086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).