7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2 — CID 54111044

IUPAC7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CN2Cc3ccccc3N=CC2C1
InChIInChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-8,11H,5,9H2
InChIKeyNHCDWOBHUMAFEW-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.49
Rot. Bonds

About 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine

7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 54111044) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID54111044
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CN2Cc3ccccc3N=CC2C1
InChIInChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-8,11H,5,9H2
InChIKeyNHCDWOBHUMAFEW-UHFFFAOYSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine (CID 54111044) is 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine is C1=CN2Cc3ccccc3N=CC2C1.
What is the InChIKey of 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is NHCDWOBHUMAFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-4,6-8,11H,5,9H2.
What are the key properties of 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine?
7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 184.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 54111044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).