6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine

C9H12N2 — CID 162683244

IUPAC6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine
SMILESCC1=Cn2cncc2CCC1
InChIInChI=1S/C9H12N2/c1-8-3-2-4-9-5-10-7-11(9)6-8/h5-7H,2-4H2,1H3
InChIKeyOJGOXLIPEULSQY-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.08
Rot. Bonds

About 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine

6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine (PubChem CID 162683244) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine.

Molecular Properties

Compound Name6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine
PubChem CID162683244
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine
SMILESCC1=Cn2cncc2CCC1
InChIInChI=1S/C9H12N2/c1-8-3-2-4-9-5-10-7-11(9)6-8/h5-7H,2-4H2,1H3
InChIKeyOJGOXLIPEULSQY-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine?
The IUPAC name of 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine (CID 162683244) is 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine.
What is the SMILES notation for 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine?
The canonical SMILES for 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine is CC1=Cn2cncc2CCC1.
What is the InChIKey of 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine?
The InChIKey is OJGOXLIPEULSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-3-2-4-9-5-10-7-11(9)6-8/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine?
6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine has a molecular weight of 148.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8,9-dihydro-7H-imidazo[1,5-a]azepine is sourced from PubChem (CID 162683244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).