2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one

C8H12N2O — CID 15696730

IUPAC2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one
SMILESO=C1CN=C2CCCCCN12
InChIInChI=1S/C8H12N2O/c11-8-6-9-7-4-2-1-3-5-10(7)8/h1-6H2
InChIKeyHUDVBQIJJOCKAD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.80
Rot. Bonds

About 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one

2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one (PubChem CID 15696730) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one.

Molecular Properties

Compound Name2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one
PubChem CID15696730
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one
SMILESO=C1CN=C2CCCCCN12
InChIInChI=1S/C8H12N2O/c11-8-6-9-7-4-2-1-3-5-10(7)8/h1-6H2
InChIKeyHUDVBQIJJOCKAD-UHFFFAOYSA-N
XLogP0.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one?
The IUPAC name of 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one (CID 15696730) is 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one.
What is the SMILES notation for 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one?
The canonical SMILES for 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one is O=C1CN=C2CCCCCN12.
What is the InChIKey of 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one?
The InChIKey is HUDVBQIJJOCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-6-9-7-4-2-1-3-5-10(7)8/h1-6H2.
What are the key properties of 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one?
2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one has a molecular weight of 152.20 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-one is sourced from PubChem (CID 15696730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).