6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one

C12H16O2 — CID 71604595

IUPAC6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one
SMILESC/C=C(\C)c1ccc(CCC)c(=O)o1
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(9(3)5-2)14-12(10)13/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyDNKFPTMHUAGHPS-WEVVVXLNSA-N
MW192.26 g/mol
LogP3.02
Rot. Bonds3

About 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one

6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one (PubChem CID 71604595) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one
PubChem CID71604595
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one
SMILESC/C=C(\C)c1ccc(CCC)c(=O)o1
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(9(3)5-2)14-12(10)13/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyDNKFPTMHUAGHPS-WEVVVXLNSA-N
XLogP3.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one (CID 71604595) is 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one is C/C=C(\C)c1ccc(CCC)c(=O)o1.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one?
The InChIKey is DNKFPTMHUAGHPS-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-6-10-7-8-11(9(3)5-2)14-12(10)13/h5,7-8H,4,6H2,1-3H3/b9-5+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one?
6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one has a molecular weight of 192.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one is sourced from PubChem (CID 71604595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).