2,3,4,5-tetrahydro-1H-azocin-8-one

C7H11NO — CID 66720080

IUPAC2,3,4,5-tetrahydro-1H-azocin-8-one
SMILESO=C1C=CCCCCN1
InChIInChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9)
InChIKeyVKJBICQSBBONRC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-azocin-8-one

2,3,4,5-tetrahydro-1H-azocin-8-one (PubChem CID 66720080) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-azocin-8-one.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-azocin-8-one
PubChem CID66720080
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,3,4,5-tetrahydro-1H-azocin-8-one
SMILESO=C1C=CCCCCN1
InChIInChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9)
InChIKeyVKJBICQSBBONRC-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-azocin-8-one?
The IUPAC name of 2,3,4,5-tetrahydro-1H-azocin-8-one (CID 66720080) is 2,3,4,5-tetrahydro-1H-azocin-8-one.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-azocin-8-one?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-azocin-8-one is O=C1C=CCCCCN1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-azocin-8-one?
The InChIKey is VKJBICQSBBONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9).
What are the key properties of 2,3,4,5-tetrahydro-1H-azocin-8-one?
2,3,4,5-tetrahydro-1H-azocin-8-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-azocin-8-one is sourced from PubChem (CID 66720080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).