4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one

C9H10O2 — CID 89101922

IUPAC4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one
SMILESC=C/C=C\C1=CCOC(=O)C1
InChIInChI=1S/C9H10O2/c1-2-3-4-8-5-6-11-9(10)7-8/h2-5H,1,6-7H2/b4-3-
InChIKeyDJCZWARLXUMLSJ-ARJAWSKDSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one

4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one (PubChem CID 89101922) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one
PubChem CID89101922
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one
SMILESC=C/C=C\C1=CCOC(=O)C1
InChIInChI=1S/C9H10O2/c1-2-3-4-8-5-6-11-9(10)7-8/h2-5H,1,6-7H2/b4-3-
InChIKeyDJCZWARLXUMLSJ-ARJAWSKDSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one (CID 89101922) is 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one is C=C/C=C\C1=CCOC(=O)C1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one?
The InChIKey is DJCZWARLXUMLSJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-3-4-8-5-6-11-9(10)7-8/h2-5H,1,6-7H2/b4-3-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one?
4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one has a molecular weight of 150.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-2,5-dihydropyran-6-one is sourced from PubChem (CID 89101922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).