(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine

C13H21NO — CID 102902821

IUPAC(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine
SMILESC(=C1/CCNC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C13H21NO/c1-2-6-13(5-1)7-3-12(15-13)9-11-4-8-14-10-11/h9,12,14H,1-8,10H2/b11-9-
InChIKeyXXBKQYOTBHBUDS-LUAWRHEFSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds1

About (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine

(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine (PubChem CID 102902821) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine
PubChem CID102902821
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine
SMILESC(=C1/CCNC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C13H21NO/c1-2-6-13(5-1)7-3-12(15-13)9-11-4-8-14-10-11/h9,12,14H,1-8,10H2/b11-9-
InChIKeyXXBKQYOTBHBUDS-LUAWRHEFSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
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 (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine?
The IUPAC name of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine (CID 102902821) is (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine.
What is the SMILES notation for (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine?
The canonical SMILES for (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine is C(=C1/CCNC1)\C1CCC2(CCCC2)O1.
What is the InChIKey of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine?
The InChIKey is XXBKQYOTBHBUDS-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-6-13(5-1)7-3-12(15-13)9-11-4-8-14-10-11/h9,12,14H,1-8,10H2/b11-9-.
What are the key properties of (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine?
(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)pyrrolidine is sourced from PubChem (CID 102902821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).