3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine

C14H23NO — CID 102902820

IUPAC3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CCC2(CCCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-6-14(7-3-1)8-4-13(16-14)10-12-5-9-15-11-12/h10,13,15H,1-9,11H2
InChIKeySCZKSFZABXCLKR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds1

About 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine

3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine (PubChem CID 102902820) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine.

Molecular Properties

Compound Name3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine
PubChem CID102902820
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CCC2(CCCCC2)O1
InChIInChI=1S/C14H23NO/c1-2-6-14(7-3-1)8-4-13(16-14)10-12-5-9-15-11-12/h10,13,15H,1-9,11H2
InChIKeySCZKSFZABXCLKR-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
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 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine?
The IUPAC name of 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine (CID 102902820) is 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine.
What is the SMILES notation for 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine?
The canonical SMILES for 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine is C(=C1CCNC1)C1CCC2(CCCCC2)O1.
What is the InChIKey of 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine?
The InChIKey is SCZKSFZABXCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-6-14(7-3-1)8-4-13(16-14)10-12-5-9-15-11-12/h10,13,15H,1-9,11H2.
What are the key properties of 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine?
3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.5]decan-2-ylmethylidene)pyrrolidine is sourced from PubChem (CID 102902820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).