6-methyl-4-[(E)-pent-1-enyl]pyran-2-one

C11H14O2 — CID 12036014

IUPAC6-methyl-4-[(E)-pent-1-enyl]pyran-2-one
SMILESCCC/C=C/c1cc(C)oc(=O)c1
InChIInChI=1S/C11H14O2/c1-3-4-5-6-10-7-9(2)13-11(12)8-10/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyFCNBCBBARFKUAE-AATRIKPKSA-N
MW178.23 g/mol
LogP2.76
Rot. Bonds3

About 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one

6-methyl-4-[(E)-pent-1-enyl]pyran-2-one (PubChem CID 12036014) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[(E)-pent-1-enyl]pyran-2-one
PubChem CID12036014
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methyl-4-[(E)-pent-1-enyl]pyran-2-one
SMILESCCC/C=C/c1cc(C)oc(=O)c1
InChIInChI=1S/C11H14O2/c1-3-4-5-6-10-7-9(2)13-11(12)8-10/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyFCNBCBBARFKUAE-AATRIKPKSA-N
XLogP2.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-[(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-methyl-4-[(E)-pent-1-enyl]pyran-2-one?
The IUPAC name of 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one (CID 12036014) is 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one.
What is the SMILES notation for 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one?
The canonical SMILES for 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one is CCC/C=C/c1cc(C)oc(=O)c1.
What is the InChIKey of 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one?
The InChIKey is FCNBCBBARFKUAE-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-5-6-10-7-9(2)13-11(12)8-10/h5-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one?
6-methyl-4-[(E)-pent-1-enyl]pyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(E)-pent-1-enyl]pyran-2-one is sourced from PubChem (CID 12036014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).