pyrrolo[2,3-i][1,4]benzodiazepine

C11H7N3 — CID 66714092

IUPACpyrrolo[2,3-i][1,4]benzodiazepine
SMILESc1cnc2c(ccc3nccc32)cn1
InChIInChI=1S/C11H7N3/c1-2-10-9(3-4-13-10)11-8(1)7-12-5-6-14-11/h1-7H
InChIKeyIFOHPTVCEBWEEQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrrolo[2,3-i][1,4]benzodiazepine

pyrrolo[2,3-i][1,4]benzodiazepine (PubChem CID 66714092) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrrolo[2,3-i][1,4]benzodiazepine.

Molecular Properties

Compound Namepyrrolo[2,3-i][1,4]benzodiazepine
PubChem CID66714092
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrrolo[2,3-i][1,4]benzodiazepine
SMILESc1cnc2c(ccc3nccc32)cn1
InChIInChI=1S/C11H7N3/c1-2-10-9(3-4-13-10)11-8(1)7-12-5-6-14-11/h1-7H
InChIKeyIFOHPTVCEBWEEQ-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-i][1,4]benzodiazepine?
The IUPAC name of pyrrolo[2,3-i][1,4]benzodiazepine (CID 66714092) is pyrrolo[2,3-i][1,4]benzodiazepine.
What is the SMILES notation for pyrrolo[2,3-i][1,4]benzodiazepine?
The canonical SMILES for pyrrolo[2,3-i][1,4]benzodiazepine is c1cnc2c(ccc3nccc32)cn1.
What is the InChIKey of pyrrolo[2,3-i][1,4]benzodiazepine?
The InChIKey is IFOHPTVCEBWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-10-9(3-4-13-10)11-8(1)7-12-5-6-14-11/h1-7H.
What are the key properties of pyrrolo[2,3-i][1,4]benzodiazepine?
pyrrolo[2,3-i][1,4]benzodiazepine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-i][1,4]benzodiazepine is sourced from PubChem (CID 66714092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).