5-methyl-4-piperidin-1-ylfuran-3-one

C10H15NO2 — CID 142985908

IUPAC5-methyl-4-piperidin-1-ylfuran-3-one
SMILESCC1=C(N2CCCCC2)C(=O)CO1
InChIInChI=1S/C10H15NO2/c1-8-10(9(12)7-13-8)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyGZYQJNFHTXCBMN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds1

About 5-methyl-4-piperidin-1-ylfuran-3-one

5-methyl-4-piperidin-1-ylfuran-3-one (PubChem CID 142985908) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-methyl-4-piperidin-1-ylfuran-3-one.

Molecular Properties

Compound Name5-methyl-4-piperidin-1-ylfuran-3-one
PubChem CID142985908
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-methyl-4-piperidin-1-ylfuran-3-one
SMILESCC1=C(N2CCCCC2)C(=O)CO1
InChIInChI=1S/C10H15NO2/c1-8-10(9(12)7-13-8)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyGZYQJNFHTXCBMN-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-1-ylfuran-3-one?
The IUPAC name of 5-methyl-4-piperidin-1-ylfuran-3-one (CID 142985908) is 5-methyl-4-piperidin-1-ylfuran-3-one.
What is the SMILES notation for 5-methyl-4-piperidin-1-ylfuran-3-one?
The canonical SMILES for 5-methyl-4-piperidin-1-ylfuran-3-one is CC1=C(N2CCCCC2)C(=O)CO1.
What is the InChIKey of 5-methyl-4-piperidin-1-ylfuran-3-one?
The InChIKey is GZYQJNFHTXCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-10(9(12)7-13-8)11-5-3-2-4-6-11/h2-7H2,1H3.
What are the key properties of 5-methyl-4-piperidin-1-ylfuran-3-one?
5-methyl-4-piperidin-1-ylfuran-3-one has a molecular weight of 181.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-1-ylfuran-3-one is sourced from PubChem (CID 142985908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).