1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one

C7H6N2O2 — CID 175647222

IUPAC1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one
SMILESO=C1CNc2occc2C=N1
InChIInChI=1S/C7H6N2O2/c10-6-4-9-7-5(3-8-6)1-2-11-7/h1-3,9H,4H2
InChIKeyHKFMATLGUMQRON-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.65
Rot. Bonds

About 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one

1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one (PubChem CID 175647222) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one.

Molecular Properties

Compound Name1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one
PubChem CID175647222
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one
SMILESO=C1CNc2occc2C=N1
InChIInChI=1S/C7H6N2O2/c10-6-4-9-7-5(3-8-6)1-2-11-7/h1-3,9H,4H2
InChIKeyHKFMATLGUMQRON-UHFFFAOYSA-N
XLogP0.65
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one?
The IUPAC name of 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one (CID 175647222) is 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one.
What is the SMILES notation for 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one?
The canonical SMILES for 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one is O=C1CNc2occc2C=N1.
What is the InChIKey of 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one?
The InChIKey is HKFMATLGUMQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-6-4-9-7-5(3-8-6)1-2-11-7/h1-3,9H,4H2.
What are the key properties of 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one?
1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one has a molecular weight of 150.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrofuro[2,3-e][1,4]diazepin-3-one is sourced from PubChem (CID 175647222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).