3-propylpyran-2-one

C8H10O2 — CID 19860913

IUPAC3-propylpyran-2-one
SMILESCCCc1cccoc1=O
InChIInChI=1S/C8H10O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6H,2,4H2,1H3
InChIKeyDVEUJZMUMXVFSN-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.59
Rot. Bonds2

About 3-propylpyran-2-one

3-propylpyran-2-one (PubChem CID 19860913) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-propylpyran-2-one.

Molecular Properties

Compound Name3-propylpyran-2-one
PubChem CID19860913
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-propylpyran-2-one
SMILESCCCc1cccoc1=O
InChIInChI=1S/C8H10O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6H,2,4H2,1H3
InChIKeyDVEUJZMUMXVFSN-UHFFFAOYSA-N
XLogP1.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propylpyran-2-one?
The IUPAC name of 3-propylpyran-2-one (CID 19860913) is 3-propylpyran-2-one.
What is the SMILES notation for 3-propylpyran-2-one?
The canonical SMILES for 3-propylpyran-2-one is CCCc1cccoc1=O.
What is the InChIKey of 3-propylpyran-2-one?
The InChIKey is DVEUJZMUMXVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6H,2,4H2,1H3.
What are the key properties of 3-propylpyran-2-one?
3-propylpyran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyran-2-one is sourced from PubChem (CID 19860913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).