8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C16H26N2O2 — CID 107898298

IUPAC8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC/C=C/CN1C(=O)C(C(C)CC)NC(=O)C12CCCC2
InChIInChI=1S/C16H26N2O2/c1-4-6-11-18-14(19)13(12(3)5-2)17-15(20)16(18)9-7-8-10-16/h4,6,12-13H,5,7-11H2,1-3H3,(H,17,20)/b6-4+
InChIKeyYAKJAJVOFZOADD-GQCTYLIASA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds4

About 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione

8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 107898298) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID107898298
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC/C=C/CN1C(=O)C(C(C)CC)NC(=O)C12CCCC2
InChIInChI=1S/C16H26N2O2/c1-4-6-11-18-14(19)13(12(3)5-2)17-15(20)16(18)9-7-8-10-16/h4,6,12-13H,5,7-11H2,1-3H3,(H,17,20)/b6-4+
InChIKeyYAKJAJVOFZOADD-GQCTYLIASA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898199
6-[(E)-but-2-enyl]-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898216
1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898217
1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874606
3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107902215
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
6-(cyclobutylmethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 65463300
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107902131
14-[(E)-but-2-enyl]-6,14-diazadispiro[4.2.58.25]pentadecane-7,15-dione
CID 107898324
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 107898298) is 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione is C/C=C/CN1C(=O)C(C(C)CC)NC(=O)C12CCCC2.
What is the InChIKey of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is YAKJAJVOFZOADD-GQCTYLIASA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-11-18-14(19)13(12(3)5-2)17-15(20)16(18)9-7-8-10-16/h4,6,12-13H,5,7-11H2,1-3H3,(H,17,20)/b6-4+.
What are the key properties of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 278.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 107898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).