(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane

C15H25NO — CID 102902833

IUPAC(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO/c1-2-8-15(7-1)9-5-14(17-15)12-13-4-3-10-16-11-6-13/h12,14,16H,1-11H2/b13-12-
InChIKeyKTOMMRGFULYKHL-SEYXRHQNSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds1

About (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane

(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane (PubChem CID 102902833) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane.

Molecular Properties

Compound Name(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane
PubChem CID102902833
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCC2(CCCC2)O1
InChIInChI=1S/C15H25NO/c1-2-8-15(7-1)9-5-14(17-15)12-13-4-3-10-16-11-6-13/h12,14,16H,1-11H2/b13-12-
InChIKeyKTOMMRGFULYKHL-SEYXRHQNSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
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 (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane?
The IUPAC name of (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane (CID 102902833) is (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane.
What is the SMILES notation for (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane?
The canonical SMILES for (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane is C(=C1/CCCNCC1)\C1CCC2(CCCC2)O1.
What is the InChIKey of (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane?
The InChIKey is KTOMMRGFULYKHL-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-8-15(7-1)9-5-14(17-15)12-13-4-3-10-16-11-6-13/h12,14,16H,1-11H2/b13-12-.
What are the key properties of (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane?
(4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane has a molecular weight of 235.37 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)azepane is sourced from PubChem (CID 102902833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).