7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C10H9IN2O2 — CID 10245205

IUPAC7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(I)cc2C1=O
InChIInChI=1S/C10H9IN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyYRCOFMRMSBOZTI-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.32
Rot. Bonds

About 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 10245205) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID10245205
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(I)cc2C1=O
InChIInChI=1S/C10H9IN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeyYRCOFMRMSBOZTI-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 10245205) is 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2ccc(I)cc2C1=O.
What is the InChIKey of 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is YRCOFMRMSBOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 316.10 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 10245205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).