3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione

C11H18N2O2 — CID 114619325

IUPAC3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
SMILESC=C(C)CN1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)7-13-6-5-9(14)12-11(3,4)10(13)15/h1,5-7H2,2-4H3,(H,12,14)
InChIKeyJQUXKQLROUCBLG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione

3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione (PubChem CID 114619325) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
PubChem CID114619325
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
SMILESC=C(C)CN1CCC(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)7-13-6-5-9(14)12-11(3,4)10(13)15/h1,5-7H2,2-4H3,(H,12,14)
InChIKeyJQUXKQLROUCBLG-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
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-(cyclopentylmethyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64881833
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
3,3-dimethyl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64882028
1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64959233
1-(2-tert-butylsulfonylethyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 106733766
1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573
3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902433
3,3-dimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114185296
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
1-(2-methylprop-2-enyl)imidazolidin-2-one
CID 114619407
3,3,6-trimethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619336
3,3-dimethyl-1-(4-methylpentan-2-yl)-1,4-diazepane-2,5-dione
CID 64960141

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione (CID 114619325) is 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione is C=C(C)CN1CCC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione?
The InChIKey is JQUXKQLROUCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)7-13-6-5-9(14)12-11(3,4)10(13)15/h1,5-7H2,2-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione?
3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 114619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).