7H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H10N2 — CID 22063048

IUPAC7H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CN2C=c3ccccc3=NC=C2C1
InChIInChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-9H,5H2
InChIKeyZAYPYKHINXAARV-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.12
Rot. Bonds

About 7H-pyrrolo[2,1-c][1,4]benzodiazepine

7H-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 22063048) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7H-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name7H-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID22063048
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CN2C=c3ccccc3=NC=C2C1
InChIInChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-9H,5H2
InChIKeyZAYPYKHINXAARV-UHFFFAOYSA-N
XLogP1.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 7H-pyrrolo[2,1-c][1,4]benzodiazepine (CID 22063048) is 7H-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 7H-pyrrolo[2,1-c][1,4]benzodiazepine is C1=CN2C=c3ccccc3=NC=C2C1.
What is the InChIKey of 7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is ZAYPYKHINXAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-9H,5H2.
What are the key properties of 7H-pyrrolo[2,1-c][1,4]benzodiazepine?
7H-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 182.23 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 22063048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).