10-aminodec-6-en-4,8-diynoic acid

C10H11NO2 — CID 71376643

IUPAC10-aminodec-6-en-4,8-diynoic acid
SMILESNCC#CC=CC#CCCC(=O)O
InChIInChI=1S/C10H11NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3H,6,8-9,11H2,(H,12,13)
InChIKeyLHWBNGRPTSMJBJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.37
Rot. Bonds2

About 10-aminodec-6-en-4,8-diynoic acid

10-aminodec-6-en-4,8-diynoic acid (PubChem CID 71376643) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 10-aminodec-6-en-4,8-diynoic acid.

Molecular Properties

Compound Name10-aminodec-6-en-4,8-diynoic acid
PubChem CID71376643
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name10-aminodec-6-en-4,8-diynoic acid
SMILESNCC#CC=CC#CCCC(=O)O
InChIInChI=1S/C10H11NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3H,6,8-9,11H2,(H,12,13)
InChIKeyLHWBNGRPTSMJBJ-UHFFFAOYSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-aminodec-6-en-4,8-diynoic acid?
The IUPAC name of 10-aminodec-6-en-4,8-diynoic acid (CID 71376643) is 10-aminodec-6-en-4,8-diynoic acid.
What is the SMILES notation for 10-aminodec-6-en-4,8-diynoic acid?
The canonical SMILES for 10-aminodec-6-en-4,8-diynoic acid is NCC#CC=CC#CCCC(=O)O.
What is the InChIKey of 10-aminodec-6-en-4,8-diynoic acid?
The InChIKey is LHWBNGRPTSMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3H,6,8-9,11H2,(H,12,13).
What are the key properties of 10-aminodec-6-en-4,8-diynoic acid?
10-aminodec-6-en-4,8-diynoic acid has a molecular weight of 177.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminodec-6-en-4,8-diynoic acid is sourced from PubChem (CID 71376643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).