3-(furan-3-ylmethylidene)piperidine

C10H13NO — CID 141119270

IUPAC3-(furan-3-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ccoc1
InChIInChI=1S/C10H13NO/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5-6,8,11H,1-2,4,7H2
InChIKeyFLKAMWNMZHWJLM-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.05
Rot. Bonds1

About 3-(furan-3-ylmethylidene)piperidine

3-(furan-3-ylmethylidene)piperidine (PubChem CID 141119270) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(furan-3-ylmethylidene)piperidine.

Molecular Properties

Compound Name3-(furan-3-ylmethylidene)piperidine
PubChem CID141119270
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(furan-3-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ccoc1
InChIInChI=1S/C10H13NO/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5-6,8,11H,1-2,4,7H2
InChIKeyFLKAMWNMZHWJLM-UHFFFAOYSA-N
XLogP2.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylidene)piperidine?
The IUPAC name of 3-(furan-3-ylmethylidene)piperidine (CID 141119270) is 3-(furan-3-ylmethylidene)piperidine.
What is the SMILES notation for 3-(furan-3-ylmethylidene)piperidine?
The canonical SMILES for 3-(furan-3-ylmethylidene)piperidine is C(=C1CCCNC1)c1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylidene)piperidine?
The InChIKey is FLKAMWNMZHWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5-6,8,11H,1-2,4,7H2.
What are the key properties of 3-(furan-3-ylmethylidene)piperidine?
3-(furan-3-ylmethylidene)piperidine has a molecular weight of 163.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylidene)piperidine is sourced from PubChem (CID 141119270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).