N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide

C9H16N2O — CID 163557893

IUPACN-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide
SMILESCC(=O)N/C1=N/CCCCCC1
InChIInChI=1S/C9H16N2O/c1-8(12)11-9-6-4-2-3-5-7-10-9/h2-7H2,1H3,(H,10,11,12)
InChIKeyFORIBEMKRRORMM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds

About N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide

N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide (PubChem CID 163557893) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide
PubChem CID163557893
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide
SMILESCC(=O)N/C1=N/CCCCCC1
InChIInChI=1S/C9H16N2O/c1-8(12)11-9-6-4-2-3-5-7-10-9/h2-7H2,1H3,(H,10,11,12)
InChIKeyFORIBEMKRRORMM-UHFFFAOYSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
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N-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-methylacetamide
CID 45120209
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide?
The IUPAC name of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide (CID 163557893) is N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide.
What is the SMILES notation for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide?
The canonical SMILES for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide is CC(=O)N/C1=N/CCCCCC1.
What is the InChIKey of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide?
The InChIKey is FORIBEMKRRORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)11-9-6-4-2-3-5-7-10-9/h2-7H2,1H3,(H,10,11,12).
What are the key properties of N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide?
N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide is sourced from PubChem (CID 163557893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).