1,3-diazaspiro[4.11]hexadecane-2,4-dione

C14H24N2O2 — CID 2426734

IUPAC1,3-diazaspiro[4.11]hexadecane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCCCCCCCC2)N1
InChIInChI=1S/C14H24N2O2/c17-12-14(16-13(18)15-12)10-8-6-4-2-1-3-5-7-9-11-14/h1-11H2,(H2,15,16,17,18)
InChIKeyYYVACDGTUCJOSC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.87
Rot. Bonds

About 1,3-diazaspiro[4.11]hexadecane-2,4-dione

1,3-diazaspiro[4.11]hexadecane-2,4-dione (PubChem CID 2426734) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,3-diazaspiro[4.11]hexadecane-2,4-dione.

Molecular Properties

Compound Name1,3-diazaspiro[4.11]hexadecane-2,4-dione
PubChem CID2426734
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1,3-diazaspiro[4.11]hexadecane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCCCCCCCC2)N1
InChIInChI=1S/C14H24N2O2/c17-12-14(16-13(18)15-12)10-8-6-4-2-1-3-5-7-9-11-14/h1-11H2,(H2,15,16,17,18)
InChIKeyYYVACDGTUCJOSC-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.11]hexadecane-2,4-dione?
The IUPAC name of 1,3-diazaspiro[4.11]hexadecane-2,4-dione (CID 2426734) is 1,3-diazaspiro[4.11]hexadecane-2,4-dione.
What is the SMILES notation for 1,3-diazaspiro[4.11]hexadecane-2,4-dione?
The canonical SMILES for 1,3-diazaspiro[4.11]hexadecane-2,4-dione is O=C1NC(=O)C2(CCCCCCCCCCC2)N1.
What is the InChIKey of 1,3-diazaspiro[4.11]hexadecane-2,4-dione?
The InChIKey is YYVACDGTUCJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-12-14(16-13(18)15-12)10-8-6-4-2-1-3-5-7-9-11-14/h1-11H2,(H2,15,16,17,18).
What are the key properties of 1,3-diazaspiro[4.11]hexadecane-2,4-dione?
1,3-diazaspiro[4.11]hexadecane-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.11]hexadecane-2,4-dione is sourced from PubChem (CID 2426734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).