2-non-4-ynylfuran

C13H18O — CID 102274443

IUPAC2-non-4-ynylfuran
SMILESCCCCC#CCCCc1ccco1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11-12H,2-4,7-8,10H2,1H3
InChIKeyNYNJQVBVZXAISK-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.80
Rot. Bonds5

About 2-non-4-ynylfuran

2-non-4-ynylfuran (PubChem CID 102274443) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-non-4-ynylfuran.

Molecular Properties

Compound Name2-non-4-ynylfuran
PubChem CID102274443
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-non-4-ynylfuran
SMILESCCCCC#CCCCc1ccco1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11-12H,2-4,7-8,10H2,1H3
InChIKeyNYNJQVBVZXAISK-UHFFFAOYSA-N
XLogP3.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-non-4-ynylfuran?
The IUPAC name of 2-non-4-ynylfuran (CID 102274443) is 2-non-4-ynylfuran.
What is the SMILES notation for 2-non-4-ynylfuran?
The canonical SMILES for 2-non-4-ynylfuran is CCCCC#CCCCc1ccco1.
What is the InChIKey of 2-non-4-ynylfuran?
The InChIKey is NYNJQVBVZXAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11-12H,2-4,7-8,10H2,1H3.
What are the key properties of 2-non-4-ynylfuran?
2-non-4-ynylfuran has a molecular weight of 190.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-4-ynylfuran is sourced from PubChem (CID 102274443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).