chromeno[3,2-c]diazepine

C12H8N2O — CID 155923318

IUPACchromeno[3,2-c]diazepine
SMILESC1=CN=NC2=Cc3ccccc3OC2=C1
InChIInChI=1S/C12H8N2O/c1-2-5-11-9(4-1)8-10-12(15-11)6-3-7-13-14-10/h1-8H
InChIKeyTWFFITGMWYOJBJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.28
Rot. Bonds

About chromeno[3,2-c]diazepine

chromeno[3,2-c]diazepine (PubChem CID 155923318) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is chromeno[3,2-c]diazepine.

Molecular Properties

Compound Namechromeno[3,2-c]diazepine
PubChem CID155923318
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Namechromeno[3,2-c]diazepine
SMILESC1=CN=NC2=Cc3ccccc3OC2=C1
InChIInChI=1S/C12H8N2O/c1-2-5-11-9(4-1)8-10-12(15-11)6-3-7-13-14-10/h1-8H
InChIKeyTWFFITGMWYOJBJ-UHFFFAOYSA-N
XLogP3.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chromeno[3,2-c]diazepine?
The IUPAC name of chromeno[3,2-c]diazepine (CID 155923318) is chromeno[3,2-c]diazepine.
What is the SMILES notation for chromeno[3,2-c]diazepine?
The canonical SMILES for chromeno[3,2-c]diazepine is C1=CN=NC2=Cc3ccccc3OC2=C1.
What is the InChIKey of chromeno[3,2-c]diazepine?
The InChIKey is TWFFITGMWYOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-5-11-9(4-1)8-10-12(15-11)6-3-7-13-14-10/h1-8H.
What are the key properties of chromeno[3,2-c]diazepine?
chromeno[3,2-c]diazepine has a molecular weight of 196.21 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromeno[3,2-c]diazepine is sourced from PubChem (CID 155923318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).