3,4,5,6-tetrahydro-1H-azocin-2-one

C7H11NO — CID 54573270

IUPAC3,4,5,6-tetrahydro-1H-azocin-2-one
SMILESO=C1CCCCC=CN1
InChIInChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h4,6H,1-3,5H2,(H,8,9)
InChIKeyZYUSYHVICKNPEK-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.19
Rot. Bonds

About 3,4,5,6-tetrahydro-1H-azocin-2-one

3,4,5,6-tetrahydro-1H-azocin-2-one (PubChem CID 54573270) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-1H-azocin-2-one.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-1H-azocin-2-one
PubChem CID54573270
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,4,5,6-tetrahydro-1H-azocin-2-one
SMILESO=C1CCCCC=CN1
InChIInChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h4,6H,1-3,5H2,(H,8,9)
InChIKeyZYUSYHVICKNPEK-UHFFFAOYSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-1H-azocin-2-one?
The IUPAC name of 3,4,5,6-tetrahydro-1H-azocin-2-one (CID 54573270) is 3,4,5,6-tetrahydro-1H-azocin-2-one.
What is the SMILES notation for 3,4,5,6-tetrahydro-1H-azocin-2-one?
The canonical SMILES for 3,4,5,6-tetrahydro-1H-azocin-2-one is O=C1CCCCC=CN1.
What is the InChIKey of 3,4,5,6-tetrahydro-1H-azocin-2-one?
The InChIKey is ZYUSYHVICKNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h4,6H,1-3,5H2,(H,8,9).
What are the key properties of 3,4,5,6-tetrahydro-1H-azocin-2-one?
3,4,5,6-tetrahydro-1H-azocin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-1H-azocin-2-one is sourced from PubChem (CID 54573270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).