5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione

C9H10N2O3 — CID 102501631

IUPAC5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
SMILESCCN1C(=O)NCc2occc2C1=O
InChIInChI=1S/C9H10N2O3/c1-2-11-8(12)6-3-4-14-7(6)5-10-9(11)13/h3-4H,2,5H2,1H3,(H,10,13)
InChIKeyRJBUKEALDOBXLS-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.96
Rot. Bonds1

About 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione

5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione (PubChem CID 102501631) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
PubChem CID102501631
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
SMILESCCN1C(=O)NCc2occc2C1=O
InChIInChI=1S/C9H10N2O3/c1-2-11-8(12)6-3-4-14-7(6)5-10-9(11)13/h3-4H,2,5H2,1H3,(H,10,13)
InChIKeyRJBUKEALDOBXLS-UHFFFAOYSA-N
XLogP0.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione?
The IUPAC name of 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione (CID 102501631) is 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione.
What is the SMILES notation for 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione?
The canonical SMILES for 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione is CCN1C(=O)NCc2occc2C1=O.
What is the InChIKey of 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione?
The InChIKey is RJBUKEALDOBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-11-8(12)6-3-4-14-7(6)5-10-9(11)13/h3-4H,2,5H2,1H3,(H,10,13).
What are the key properties of 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione?
5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione has a molecular weight of 194.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione is sourced from PubChem (CID 102501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).