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

C16H26N2O2 — CID 107898217

IUPAC1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC/C=C/CN1C(=O)C(CCC)NC(=O)C12CCCCC2
InChIInChI=1S/C16H26N2O2/c1-3-5-12-18-14(19)13(9-4-2)17-15(20)16(18)10-7-6-8-11-16/h3,5,13H,4,6-12H2,1-2H3,(H,17,20)/b5-3+
InChIKeySCHUINLZDQOULV-HWKANZROSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

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

1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107898217) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107898217
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC/C=C/CN1C(=O)C(CCC)NC(=O)C12CCCCC2
InChIInChI=1S/C16H26N2O2/c1-3-5-12-18-14(19)13(9-4-2)17-15(20)16(18)10-7-6-8-11-16/h3,5,13H,4,6-12H2,1-2H3,(H,17,20)/b5-3+
InChIKeySCHUINLZDQOULV-HWKANZROSA-N
XLogP2.39
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 ≤ 52.39
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

6-[(E)-but-2-enyl]-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898216
1-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872407
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898199
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107902131
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
1-cyclopentyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 82924283
6-(2-propan-2-yloxyethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873585
6-(oxolan-3-ylmethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873782
14-[(E)-but-2-enyl]-6,14-diazadispiro[4.2.58.25]pentadecane-7,15-dione
CID 107898324
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
8-ethyl-6-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459014

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107898217) is 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione is C/C=C/CN1C(=O)C(CCC)NC(=O)C12CCCCC2.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is SCHUINLZDQOULV-HWKANZROSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-12-18-14(19)13(9-4-2)17-15(20)16(18)10-7-6-8-11-16/h3,5,13H,4,6-12H2,1-2H3,(H,17,20)/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 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-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107898217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).