1-methoxy-5H-benzo[d][2,3]benzodiazepine

C14H12N2O — CID 142778184

IUPAC1-methoxy-5H-benzo[d][2,3]benzodiazepine
SMILESCOc1cccc2c1-c1ccccc1C=NN2
InChIInChI=1S/C14H12N2O/c1-17-13-8-4-7-12-14(13)11-6-3-2-5-10(11)9-15-16-12/h2-9,16H,1H3
InChIKeyAWCYJDVCBMDDLI-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.12
Rot. Bonds1

About 1-methoxy-5H-benzo[d][2,3]benzodiazepine

1-methoxy-5H-benzo[d][2,3]benzodiazepine (PubChem CID 142778184) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methoxy-5H-benzo[d][2,3]benzodiazepine.

Molecular Properties

Compound Name1-methoxy-5H-benzo[d][2,3]benzodiazepine
PubChem CID142778184
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-methoxy-5H-benzo[d][2,3]benzodiazepine
SMILESCOc1cccc2c1-c1ccccc1C=NN2
InChIInChI=1S/C14H12N2O/c1-17-13-8-4-7-12-14(13)11-6-3-2-5-10(11)9-15-16-12/h2-9,16H,1H3
InChIKeyAWCYJDVCBMDDLI-UHFFFAOYSA-N
XLogP3.12
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5H-benzo[d][2,3]benzodiazepine?
The IUPAC name of 1-methoxy-5H-benzo[d][2,3]benzodiazepine (CID 142778184) is 1-methoxy-5H-benzo[d][2,3]benzodiazepine.
What is the SMILES notation for 1-methoxy-5H-benzo[d][2,3]benzodiazepine?
The canonical SMILES for 1-methoxy-5H-benzo[d][2,3]benzodiazepine is COc1cccc2c1-c1ccccc1C=NN2.
What is the InChIKey of 1-methoxy-5H-benzo[d][2,3]benzodiazepine?
The InChIKey is AWCYJDVCBMDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-13-8-4-7-12-14(13)11-6-3-2-5-10(11)9-15-16-12/h2-9,16H,1H3.
What are the key properties of 1-methoxy-5H-benzo[d][2,3]benzodiazepine?
1-methoxy-5H-benzo[d][2,3]benzodiazepine has a molecular weight of 224.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5H-benzo[d][2,3]benzodiazepine is sourced from PubChem (CID 142778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).