3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C15H18N2O3 — CID 79910128

IUPAC3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(C2CCOC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-2-12-15(19)17(10-7-8-20-9-10)13-6-4-3-5-11(13)14(18)16-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18)
InChIKeyFECPTTKXWGTFEG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds2

About 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79910128) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79910128
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(C2CCOC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-2-12-15(19)17(10-7-8-20-9-10)13-6-4-3-5-11(13)14(18)16-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18)
InChIKeyFECPTTKXWGTFEG-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79910128) is 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CCC1NC(=O)c2ccccc2N(C2CCOC2)C1=O.
What is the InChIKey of 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is FECPTTKXWGTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-12-15(19)17(10-7-8-20-9-10)13-6-4-3-5-11(13)14(18)16-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79910128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).