4-(methylideneamino)spiro[4.5]decane-3,8-dione

C11H15NO2 — CID 69468663

IUPAC4-(methylideneamino)spiro[4.5]decane-3,8-dione
SMILESC=NC1C(=O)CCC12CCC(=O)CC2
InChIInChI=1S/C11H15NO2/c1-12-10-9(14)4-7-11(10)5-2-8(13)3-6-11/h10H,1-7H2
InChIKeyZIYSIUFIAXETPP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds1

About 4-(methylideneamino)spiro[4.5]decane-3,8-dione

4-(methylideneamino)spiro[4.5]decane-3,8-dione (PubChem CID 69468663) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(methylideneamino)spiro[4.5]decane-3,8-dione.

Molecular Properties

Compound Name4-(methylideneamino)spiro[4.5]decane-3,8-dione
PubChem CID69468663
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(methylideneamino)spiro[4.5]decane-3,8-dione
SMILESC=NC1C(=O)CCC12CCC(=O)CC2
InChIInChI=1S/C11H15NO2/c1-12-10-9(14)4-7-11(10)5-2-8(13)3-6-11/h10H,1-7H2
InChIKeyZIYSIUFIAXETPP-UHFFFAOYSA-N
XLogP1.55
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)spiro[4.5]decane-3,8-dione?
The IUPAC name of 4-(methylideneamino)spiro[4.5]decane-3,8-dione (CID 69468663) is 4-(methylideneamino)spiro[4.5]decane-3,8-dione.
What is the SMILES notation for 4-(methylideneamino)spiro[4.5]decane-3,8-dione?
The canonical SMILES for 4-(methylideneamino)spiro[4.5]decane-3,8-dione is C=NC1C(=O)CCC12CCC(=O)CC2.
What is the InChIKey of 4-(methylideneamino)spiro[4.5]decane-3,8-dione?
The InChIKey is ZIYSIUFIAXETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10-9(14)4-7-11(10)5-2-8(13)3-6-11/h10H,1-7H2.
What are the key properties of 4-(methylideneamino)spiro[4.5]decane-3,8-dione?
4-(methylideneamino)spiro[4.5]decane-3,8-dione has a molecular weight of 193.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)spiro[4.5]decane-3,8-dione is sourced from PubChem (CID 69468663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).