4-[(5-methyloxolan-2-yl)methylidene]piperidine

C11H19NO — CID 103143054

IUPAC4-[(5-methyloxolan-2-yl)methylidene]piperidine
SMILESCC1CCC(C=C2CCNCC2)O1
InChIInChI=1S/C11H19NO/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h8-9,11-12H,2-7H2,1H3
InChIKeyZUTDUEDNXOILEO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds1

About 4-[(5-methyloxolan-2-yl)methylidene]piperidine

4-[(5-methyloxolan-2-yl)methylidene]piperidine (PubChem CID 103143054) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(5-methyloxolan-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(5-methyloxolan-2-yl)methylidene]piperidine
PubChem CID103143054
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(5-methyloxolan-2-yl)methylidene]piperidine
SMILESCC1CCC(C=C2CCNCC2)O1
InChIInChI=1S/C11H19NO/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h8-9,11-12H,2-7H2,1H3
InChIKeyZUTDUEDNXOILEO-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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 4-[(5-methyloxolan-2-yl)methylidene]piperidine?
The IUPAC name of 4-[(5-methyloxolan-2-yl)methylidene]piperidine (CID 103143054) is 4-[(5-methyloxolan-2-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(5-methyloxolan-2-yl)methylidene]piperidine?
The canonical SMILES for 4-[(5-methyloxolan-2-yl)methylidene]piperidine is CC1CCC(C=C2CCNCC2)O1.
What is the InChIKey of 4-[(5-methyloxolan-2-yl)methylidene]piperidine?
The InChIKey is ZUTDUEDNXOILEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 4-[(5-methyloxolan-2-yl)methylidene]piperidine?
4-[(5-methyloxolan-2-yl)methylidene]piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyloxolan-2-yl)methylidene]piperidine is sourced from PubChem (CID 103143054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).