(3E)-3-(oxolan-2-ylmethylidene)piperidine

C10H17NO — CID 79880294

IUPAC(3E)-3-(oxolan-2-ylmethylidene)piperidine
SMILESC(=C1\CCCNC1)\C1CCCO1
InChIInChI=1S/C10H17NO/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h7,10-11H,1-6,8H2/b9-7+
InChIKeyBGGZVZUAERREJA-VQHVLOKHSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds1

About (3E)-3-(oxolan-2-ylmethylidene)piperidine

(3E)-3-(oxolan-2-ylmethylidene)piperidine (PubChem CID 79880294) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-3-(oxolan-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name(3E)-3-(oxolan-2-ylmethylidene)piperidine
PubChem CID79880294
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-3-(oxolan-2-ylmethylidene)piperidine
SMILESC(=C1\CCCNC1)\C1CCCO1
InChIInChI=1S/C10H17NO/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h7,10-11H,1-6,8H2/b9-7+
InChIKeyBGGZVZUAERREJA-VQHVLOKHSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(oxolan-2-ylmethylidene)piperidine?
The IUPAC name of (3E)-3-(oxolan-2-ylmethylidene)piperidine (CID 79880294) is (3E)-3-(oxolan-2-ylmethylidene)piperidine.
What is the SMILES notation for (3E)-3-(oxolan-2-ylmethylidene)piperidine?
The canonical SMILES for (3E)-3-(oxolan-2-ylmethylidene)piperidine is C(=C1\CCCNC1)\C1CCCO1.
What is the InChIKey of (3E)-3-(oxolan-2-ylmethylidene)piperidine?
The InChIKey is BGGZVZUAERREJA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h7,10-11H,1-6,8H2/b9-7+.
What are the key properties of (3E)-3-(oxolan-2-ylmethylidene)piperidine?
(3E)-3-(oxolan-2-ylmethylidene)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(oxolan-2-ylmethylidene)piperidine is sourced from PubChem (CID 79880294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).