8-azaniumyl-7-oxononanoate

C9H17NO3 — CID 25244029

IUPAC8-azaniumyl-7-oxononanoate
SMILESCC([NH3+])C(=O)CCCCCC(=O)[O-]
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
InChIKeyGUAHPAJOXVYFON-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.11
Rot. Bonds7

About 8-azaniumyl-7-oxononanoate

8-azaniumyl-7-oxononanoate (PubChem CID 25244029) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 8-azaniumyl-7-oxononanoate.

Molecular Properties

Compound Name8-azaniumyl-7-oxononanoate
PubChem CID25244029
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name8-azaniumyl-7-oxononanoate
SMILESCC([NH3+])C(=O)CCCCCC(=O)[O-]
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
InChIKeyGUAHPAJOXVYFON-UHFFFAOYSA-N
XLogP-1.11
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-azaniumyl-7-oxononanoate?
The IUPAC name of 8-azaniumyl-7-oxononanoate (CID 25244029) is 8-azaniumyl-7-oxononanoate.
What is the SMILES notation for 8-azaniumyl-7-oxononanoate?
The canonical SMILES for 8-azaniumyl-7-oxononanoate is CC([NH3+])C(=O)CCCCCC(=O)[O-].
What is the InChIKey of 8-azaniumyl-7-oxononanoate?
The InChIKey is GUAHPAJOXVYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 8-azaniumyl-7-oxononanoate?
8-azaniumyl-7-oxononanoate has a molecular weight of 187.24 g/mol, XLogP of -1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaniumyl-7-oxononanoate is sourced from PubChem (CID 25244029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).