1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22N2O2 — CID 107898199

IUPAC1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H22N2O2/c1-3-4-10-16-12(17)11(2)15-13(18)14(16)8-6-5-7-9-14/h3-4,11H,5-10H2,1-2H3,(H,15,18)/b4-3+
InChIKeySQBKMDCRNRJHEF-ONEGZZNKSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds2

About 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107898199) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107898199
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H22N2O2/c1-3-4-10-16-12(17)11(2)15-13(18)14(16)8-6-5-7-9-14/h3-4,11H,5-10H2,1-2H3,(H,15,18)/b4-3+
InChIKeySQBKMDCRNRJHEF-ONEGZZNKSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
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 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107898199) is 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is C/C=C/CN1C(=O)C(C)NC(=O)C12CCCCC2.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is SQBKMDCRNRJHEF-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-10-16-12(17)11(2)15-13(18)14(16)8-6-5-7-9-14/h3-4,11H,5-10H2,1-2H3,(H,15,18)/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107898199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).