5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one

C16H12N2O3 — CID 10221329

IUPAC5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
SMILESO=C1Cc2cc3c(cc2C(c2ccccc2)=NN1)OCO3
InChIInChI=1S/C16H12N2O3/c19-15-7-11-6-13-14(21-9-20-13)8-12(11)16(18-17-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,17,19)
InChIKeyUOQKSHZFTFBMOP-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.84
Rot. Bonds1

About 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one

5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one (PubChem CID 10221329) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one.

Molecular Properties

Compound Name5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
PubChem CID10221329
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
SMILESO=C1Cc2cc3c(cc2C(c2ccccc2)=NN1)OCO3
InChIInChI=1S/C16H12N2O3/c19-15-7-11-6-13-14(21-9-20-13)8-12(11)16(18-17-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,17,19)
InChIKeyUOQKSHZFTFBMOP-UHFFFAOYSA-N
XLogP1.84
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The IUPAC name of 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one (CID 10221329) is 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one.
What is the SMILES notation for 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The canonical SMILES for 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one is O=C1Cc2cc3c(cc2C(c2ccccc2)=NN1)OCO3.
What is the InChIKey of 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The InChIKey is UOQKSHZFTFBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-7-11-6-13-14(21-9-20-13)8-12(11)16(18-17-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,17,19).
What are the key properties of 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one has a molecular weight of 280.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one is sourced from PubChem (CID 10221329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).