3H-furan-2-one;piperidine

C9H15NO2 — CID 68714093

IUPAC3H-furan-2-one;piperidine
SMILESC1CCNCC1.O=C1CC=CO1
InChIInChI=1S/C5H11N.C4H4O2/c1-2-4-6-5-3-1;5-4-2-1-3-6-4/h6H,1-5H2;1,3H,2H2
InChIKeyFAKXUUWOCGMPCV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds

About 3H-furan-2-one;piperidine

3H-furan-2-one;piperidine (PubChem CID 68714093) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3H-furan-2-one;piperidine.

Molecular Properties

Compound Name3H-furan-2-one;piperidine
PubChem CID68714093
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3H-furan-2-one;piperidine
SMILESC1CCNCC1.O=C1CC=CO1
InChIInChI=1S/C5H11N.C4H4O2/c1-2-4-6-5-3-1;5-4-2-1-3-6-4/h6H,1-5H2;1,3H,2H2
InChIKeyFAKXUUWOCGMPCV-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-furan-2-one;piperidine?
The IUPAC name of 3H-furan-2-one;piperidine (CID 68714093) is 3H-furan-2-one;piperidine.
What is the SMILES notation for 3H-furan-2-one;piperidine?
The canonical SMILES for 3H-furan-2-one;piperidine is C1CCNCC1.O=C1CC=CO1.
What is the InChIKey of 3H-furan-2-one;piperidine?
The InChIKey is FAKXUUWOCGMPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H4O2/c1-2-4-6-5-3-1;5-4-2-1-3-6-4/h6H,1-5H2;1,3H,2H2.
What are the key properties of 3H-furan-2-one;piperidine?
3H-furan-2-one;piperidine has a molecular weight of 169.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2-one;piperidine is sourced from PubChem (CID 68714093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).