6-azaniumyl-7-hydroxynon-3-ynoate

C9H15NO3 — CID 169196237

IUPAC6-azaniumyl-7-hydroxynon-3-ynoate
SMILESCCC(O)C([NH3+])CC#CCC(=O)[O-]
InChIInChI=1S/C9H15NO3/c1-2-8(11)7(10)5-3-4-6-9(12)13/h7-8,11H,2,5-6,10H2,1H3,(H,12,13)
InChIKeyYVLYNKYOFMOHAB-UHFFFAOYSA-N
MW185.22 g/mol
LogP-2.10
Rot. Bonds4

About 6-azaniumyl-7-hydroxynon-3-ynoate

6-azaniumyl-7-hydroxynon-3-ynoate (PubChem CID 169196237) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-azaniumyl-7-hydroxynon-3-ynoate.

Molecular Properties

Compound Name6-azaniumyl-7-hydroxynon-3-ynoate
PubChem CID169196237
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name6-azaniumyl-7-hydroxynon-3-ynoate
SMILESCCC(O)C([NH3+])CC#CCC(=O)[O-]
InChIInChI=1S/C9H15NO3/c1-2-8(11)7(10)5-3-4-6-9(12)13/h7-8,11H,2,5-6,10H2,1H3,(H,12,13)
InChIKeyYVLYNKYOFMOHAB-UHFFFAOYSA-N
XLogP-2.10
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-azaniumyl-7-hydroxynon-8-en-3-ynoate
CID 169196305
(2R,3S)-2-azaniumyl-3-hydroxypentanoate
CID 86308698
(3S)-3-azaniumylpentanoate
CID 25417383
propan-2-ylazanium acetate
CID 22623609
magnesium bis(3-hydroxypentanoate)
CID 164775085
lithium 2-ethylbutanoate
CID 23681528
2-hydroxypropylazanium acetate
CID 22134549
propanoate;tin(4+)
CID 167712674
propanoate;hydrate
CID 19032208
propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970

Frequently Asked Questions

What is the IUPAC name of 6-azaniumyl-7-hydroxynon-3-ynoate?
The IUPAC name of 6-azaniumyl-7-hydroxynon-3-ynoate (CID 169196237) is 6-azaniumyl-7-hydroxynon-3-ynoate.
What is the SMILES notation for 6-azaniumyl-7-hydroxynon-3-ynoate?
The canonical SMILES for 6-azaniumyl-7-hydroxynon-3-ynoate is CCC(O)C([NH3+])CC#CCC(=O)[O-].
What is the InChIKey of 6-azaniumyl-7-hydroxynon-3-ynoate?
The InChIKey is YVLYNKYOFMOHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)7(10)5-3-4-6-9(12)13/h7-8,11H,2,5-6,10H2,1H3,(H,12,13).
What are the key properties of 6-azaniumyl-7-hydroxynon-3-ynoate?
6-azaniumyl-7-hydroxynon-3-ynoate has a molecular weight of 185.22 g/mol, XLogP of -2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaniumyl-7-hydroxynon-3-ynoate is sourced from PubChem (CID 169196237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).