6-[(E)-pent-1-enyl]pyran-2-one

C10H12O2 — CID 11147910

IUPAC6-[(E)-pent-1-enyl]pyran-2-one
SMILESCCC/C=C/c1cccc(=O)o1
InChIInChI=1S/C10H12O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-8H,2-3H2,1H3/b6-4+
InChIKeyGVUAFSNSBZBVES-GQCTYLIASA-N
MW164.20 g/mol
LogP2.45
Rot. Bonds3

About 6-[(E)-pent-1-enyl]pyran-2-one

6-[(E)-pent-1-enyl]pyran-2-one (PubChem CID 11147910) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-[(E)-pent-1-enyl]pyran-2-one.

Molecular Properties

Compound Name6-[(E)-pent-1-enyl]pyran-2-one
PubChem CID11147910
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-[(E)-pent-1-enyl]pyran-2-one
SMILESCCC/C=C/c1cccc(=O)o1
InChIInChI=1S/C10H12O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-8H,2-3H2,1H3/b6-4+
InChIKeyGVUAFSNSBZBVES-GQCTYLIASA-N
XLogP2.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(E)-pent-1-enyl]pyran-2-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 6-[(E)-pent-1-enyl]pyran-2-one?
The IUPAC name of 6-[(E)-pent-1-enyl]pyran-2-one (CID 11147910) is 6-[(E)-pent-1-enyl]pyran-2-one.
What is the SMILES notation for 6-[(E)-pent-1-enyl]pyran-2-one?
The canonical SMILES for 6-[(E)-pent-1-enyl]pyran-2-one is CCC/C=C/c1cccc(=O)o1.
What is the InChIKey of 6-[(E)-pent-1-enyl]pyran-2-one?
The InChIKey is GVUAFSNSBZBVES-GQCTYLIASA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-8H,2-3H2,1H3/b6-4+.
What are the key properties of 6-[(E)-pent-1-enyl]pyran-2-one?
6-[(E)-pent-1-enyl]pyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-pent-1-enyl]pyran-2-one is sourced from PubChem (CID 11147910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).