1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione

C15H24N2O2 — CID 107898452

IUPAC1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
SMILESC/C=C/CN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-2-3-10-17-11-9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3,(H,16,18)/b3-2+
InChIKeyLPXNFWMBRXYGAZ-NSCUHMNNSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds3

About 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione

1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione (PubChem CID 107898452) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
PubChem CID107898452
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
SMILESC/C=C/CN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-2-3-10-17-11-9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3,(H,16,18)/b3-2+
InChIKeyLPXNFWMBRXYGAZ-NSCUHMNNSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
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

3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
3-cyclohexyl-1-prop-2-ynyl-1,4-diazepane-2,5-dione
CID 64963770
3-cyclohexyl-1-(2-methylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 64881696
3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
CID 64882470
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
CID 81110439
3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882664
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
1-but-2-enyl-4-cycloicosylazepan-2-one
CID 54236931
3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
CID 64971130
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione (CID 107898452) is 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione is C/C=C/CN1CCC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione?
The InChIKey is LPXNFWMBRXYGAZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-10-17-11-9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3,(H,16,18)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione?
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.86, 3 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-cyclohexyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 107898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).