4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C15H18N2O2 — CID 11777284

IUPAC4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC=Cc1ccc2c(c1)C(=O)N(C(C)(C)C)CC(=O)N2
InChIInChI=1S/C15H18N2O2/c1-5-10-6-7-12-11(8-10)14(19)17(15(2,3)4)9-13(18)16-12/h5-8H,1,9H2,2-4H3,(H,16,18)
InChIKeyOJHSNYKXELZWLO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds1

About 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 11777284) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID11777284
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC=Cc1ccc2c(c1)C(=O)N(C(C)(C)C)CC(=O)N2
InChIInChI=1S/C15H18N2O2/c1-5-10-6-7-12-11(8-10)14(19)17(15(2,3)4)9-13(18)16-12/h5-8H,1,9H2,2-4H3,(H,16,18)
InChIKeyOJHSNYKXELZWLO-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10610442
7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10245205
4-tert-butyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554274
4-tert-butyl-7-chloro-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296049
2-[2,5-dioxo-7-(2-piperidin-4-ylethoxy)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-methylbutanoic acid
CID 67706202
2-tert-butyl-5,6-dihydroxy-3H-isoindol-1-one
CID 118460130
(5-ethenyl-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate
CID 91033939
4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031345
tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170063972
3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 155583148
6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione
CID 138713069
2-tert-butyl-1-oxo-3H-isoindole-5-carbonitrile
CID 154957532

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 11777284) is 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is C=Cc1ccc2c(c1)C(=O)N(C(C)(C)C)CC(=O)N2.
What is the InChIKey of 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is OJHSNYKXELZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-5-10-6-7-12-11(8-10)14(19)17(15(2,3)4)9-13(18)16-12/h5-8H,1,9H2,2-4H3,(H,16,18).
What are the key properties of 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-ethenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 11777284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).