8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine

C11H10N2O2 — CID 19974048

IUPAC8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
SMILESCC1=NN=Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C11H10N2O2/c1-7-2-8-3-10-11(15-6-14-10)4-9(8)5-12-13-7/h3-5H,2,6H2,1H3
InChIKeyXSMUDIHWGYUTDV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.77
Rot. Bonds

About 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine

8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine (PubChem CID 19974048) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine.

Molecular Properties

Compound Name8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
PubChem CID19974048
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
SMILESCC1=NN=Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C11H10N2O2/c1-7-2-8-3-10-11(15-6-14-10)4-9(8)5-12-13-7/h3-5H,2,6H2,1H3
InChIKeyXSMUDIHWGYUTDV-UHFFFAOYSA-N
XLogP1.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine?
The IUPAC name of 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine (CID 19974048) is 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine.
What is the SMILES notation for 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine?
The canonical SMILES for 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine is CC1=NN=Cc2cc3c(cc2C1)OCO3.
What is the InChIKey of 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine?
The InChIKey is XSMUDIHWGYUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-8-3-10-11(15-6-14-10)4-9(8)5-12-13-7/h3-5H,2,6H2,1H3.
What are the key properties of 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine?
8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine has a molecular weight of 202.21 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine is sourced from PubChem (CID 19974048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).