imidazo[1,2-a]azepin-7-one

C8H6N2O — CID 12692689

IUPACimidazo[1,2-a]azepin-7-one
SMILESO=c1ccc2nccn2cc1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H
InChIKeyDUDAAXKVXCZZPY-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.69
Rot. Bonds

About imidazo[1,2-a]azepin-7-one

imidazo[1,2-a]azepin-7-one (PubChem CID 12692689) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is imidazo[1,2-a]azepin-7-one.

Molecular Properties

Compound Nameimidazo[1,2-a]azepin-7-one
PubChem CID12692689
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Nameimidazo[1,2-a]azepin-7-one
SMILESO=c1ccc2nccn2cc1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H
InChIKeyDUDAAXKVXCZZPY-UHFFFAOYSA-N
XLogP0.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,4E)-1,5-bis(1-propan-2-ylimidazol-2-yl)penta-1,4-dien-3-one
CID 76311141
(1E,4E)-1,5-bis(1-methylimidazol-2-yl)penta-1,4-dien-3-one
CID 76311140
(1E,4E)-1,5-bis[1-(2-methylpropyl)imidazol-2-yl]penta-1,4-dien-3-one
CID 76318343
(1E,4E)-1,5-bis(1-butan-2-ylimidazol-2-yl)penta-1,4-dien-3-one
CID 76336485
(1E,4E)-1,5-bis(1-ethylimidazol-2-yl)penta-1,4-dien-3-one
CID 122177386
(1E,4E)-1,5-bis(1-propylimidazol-2-yl)penta-1,4-dien-3-one
CID 122177387
(1E,4E)-1,5-bis(1-butylimidazol-2-yl)penta-1,4-dien-3-one
CID 122177388
(1E,4E)-1,5-bis[1-(3-methylbut-2-enyl)imidazol-2-yl]penta-1,4-dien-3-one
CID 122177395
(1E,4E,6E)-1,7-bis(1-ethylimidazol-2-yl)hepta-1,4,6-trien-3-one
CID 127026809
(1E,4E,6E)-1,7-bis(1-methylimidazol-2-yl)hepta-1,4,6-trien-3-one
CID 127038900
(E)-1-(1-Isopropyl-1H-imidazol-2-yl)but-2-en-1-one
CID 11499311
(e)-1-(1-Methyl-1h-imidazol-2-yl)but-2-en-1-one
CID 11845347

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]azepin-7-one?
The IUPAC name of imidazo[1,2-a]azepin-7-one (CID 12692689) is imidazo[1,2-a]azepin-7-one.
What is the SMILES notation for imidazo[1,2-a]azepin-7-one?
The canonical SMILES for imidazo[1,2-a]azepin-7-one is O=c1ccc2nccn2cc1.
What is the InChIKey of imidazo[1,2-a]azepin-7-one?
The InChIKey is DUDAAXKVXCZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H.
What are the key properties of imidazo[1,2-a]azepin-7-one?
imidazo[1,2-a]azepin-7-one has a molecular weight of 146.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]azepin-7-one is sourced from PubChem (CID 12692689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).