6-but-2-en-2-yl-3-methylpyran-2-one

C10H12O2 — CID 71346036

IUPAC6-but-2-en-2-yl-3-methylpyran-2-one
SMILESCC=C(C)c1ccc(C)c(=O)o1
InChIInChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3
InChIKeyFEEGMVBAILJAQO-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.37
Rot. Bonds1

About 6-but-2-en-2-yl-3-methylpyran-2-one

6-but-2-en-2-yl-3-methylpyran-2-one (PubChem CID 71346036) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-but-2-en-2-yl-3-methylpyran-2-one.

Molecular Properties

Compound Name6-but-2-en-2-yl-3-methylpyran-2-one
PubChem CID71346036
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-but-2-en-2-yl-3-methylpyran-2-one
SMILESCC=C(C)c1ccc(C)c(=O)o1
InChIInChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3
InChIKeyFEEGMVBAILJAQO-UHFFFAOYSA-N
XLogP2.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-3-methylpyran-2-one?
The IUPAC name of 6-but-2-en-2-yl-3-methylpyran-2-one (CID 71346036) is 6-but-2-en-2-yl-3-methylpyran-2-one.
What is the SMILES notation for 6-but-2-en-2-yl-3-methylpyran-2-one?
The canonical SMILES for 6-but-2-en-2-yl-3-methylpyran-2-one is CC=C(C)c1ccc(C)c(=O)o1.
What is the InChIKey of 6-but-2-en-2-yl-3-methylpyran-2-one?
The InChIKey is FEEGMVBAILJAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3.
What are the key properties of 6-but-2-en-2-yl-3-methylpyran-2-one?
6-but-2-en-2-yl-3-methylpyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-3-methylpyran-2-one is sourced from PubChem (CID 71346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).