potassium N-(3-carboxypropyl)oct-7-enimidate

C12H20KNO3 — CID 101276408

IUPACpotassium N-(3-carboxypropyl)oct-7-enimidate
SMILESC=CCCCCC/C([O-])=N/CCCC(=O)O.[K+]
InChIInChI=1S/C12H21NO3.K/c1-2-3-4-5-6-8-11(14)13-10-7-9-12(15)16;/h2H,1,3-10H2,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyGZOXAXSCHMUJAI-UHFFFAOYSA-M
MW265.39 g/mol
LogP-1.25
Rot. Bonds10

About potassium N-(3-carboxypropyl)oct-7-enimidate

potassium N-(3-carboxypropyl)oct-7-enimidate (PubChem CID 101276408) has the molecular formula C12H20KNO3 and a molecular weight of 265.39 g/mol. Its IUPAC name is potassium N-(3-carboxypropyl)oct-7-enimidate.

Molecular Properties

Compound Namepotassium N-(3-carboxypropyl)oct-7-enimidate
PubChem CID101276408
Molecular FormulaC12H20KNO3
Molecular Weight265.39 g/mol
Exact Mass265.11
IUPAC Namepotassium N-(3-carboxypropyl)oct-7-enimidate
SMILESC=CCCCCC/C([O-])=N/CCCC(=O)O.[K+]
InChIInChI=1S/C12H21NO3.K/c1-2-3-4-5-6-8-11(14)13-10-7-9-12(15)16;/h2H,1,3-10H2,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyGZOXAXSCHMUJAI-UHFFFAOYSA-M
XLogP-1.25
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
potassium (E)-N-(3-carboxypropyl)oct-5-enimidate
CID 101276406
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
dec-1-ene;dec-9-enoic acid
CID 87497067
5-[bis(4-carboxybutyl)-tetracos-23-enylazaniumyl]pentanoate
CID 177410740
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729

Frequently Asked Questions

What is the IUPAC name of potassium N-(3-carboxypropyl)oct-7-enimidate?
The IUPAC name of potassium N-(3-carboxypropyl)oct-7-enimidate (CID 101276408) is potassium N-(3-carboxypropyl)oct-7-enimidate.
What is the SMILES notation for potassium N-(3-carboxypropyl)oct-7-enimidate?
The canonical SMILES for potassium N-(3-carboxypropyl)oct-7-enimidate is C=CCCCCC/C([O-])=N/CCCC(=O)O.[K+].
What is the InChIKey of potassium N-(3-carboxypropyl)oct-7-enimidate?
The InChIKey is GZOXAXSCHMUJAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21NO3.K/c1-2-3-4-5-6-8-11(14)13-10-7-9-12(15)16;/h2H,1,3-10H2,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of potassium N-(3-carboxypropyl)oct-7-enimidate?
potassium N-(3-carboxypropyl)oct-7-enimidate has a molecular weight of 265.39 g/mol, XLogP of -1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3-carboxypropyl)oct-7-enimidate is sourced from PubChem (CID 101276408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).