2-(azidomethyl)-3-(2-phenylethynyl)furan

C13H9N3O — CID 102300153

IUPAC2-(azidomethyl)-3-(2-phenylethynyl)furan
SMILES[N-]=[N+]=NCc1occc1C#Cc1ccccc1
InChIInChI=1S/C13H9N3O/c14-16-15-10-13-12(8-9-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-9H,10H2
InChIKeyLVADCQVMZPOTCG-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.49
Rot. Bonds2

About 2-(azidomethyl)-3-(2-phenylethynyl)furan

2-(azidomethyl)-3-(2-phenylethynyl)furan (PubChem CID 102300153) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(azidomethyl)-3-(2-phenylethynyl)furan.

Molecular Properties

Compound Name2-(azidomethyl)-3-(2-phenylethynyl)furan
PubChem CID102300153
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name2-(azidomethyl)-3-(2-phenylethynyl)furan
SMILES[N-]=[N+]=NCc1occc1C#Cc1ccccc1
InChIInChI=1S/C13H9N3O/c14-16-15-10-13-12(8-9-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-9H,10H2
InChIKeyLVADCQVMZPOTCG-UHFFFAOYSA-N
XLogP3.49
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-3-(methylsulfanylmethyl)furan
CID 86591650
4-azidobut-1-ynylbenzene
CID 15806508
1,3,5-tris(azidomethyl)-2,4,6-triphenylbenzene
CID 174786446
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2,5-diazido-3,6-bis(2-phenylethynyl)cyclohexa-2,5-diene-1,4-dione
CID 14613330
9-(azidomethyl)-10-methylanthracene
CID 123541544
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
CID 123950746
2-[2-[2-(azidomethyl)phenyl]ethynyl]thiophene
CID 135016893
4-(2-phenylethynyl)pyran-2-one
CID 86068839

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-3-(2-phenylethynyl)furan?
The IUPAC name of 2-(azidomethyl)-3-(2-phenylethynyl)furan (CID 102300153) is 2-(azidomethyl)-3-(2-phenylethynyl)furan.
What is the SMILES notation for 2-(azidomethyl)-3-(2-phenylethynyl)furan?
The canonical SMILES for 2-(azidomethyl)-3-(2-phenylethynyl)furan is [N-]=[N+]=NCc1occc1C#Cc1ccccc1.
What is the InChIKey of 2-(azidomethyl)-3-(2-phenylethynyl)furan?
The InChIKey is LVADCQVMZPOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-16-15-10-13-12(8-9-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-9H,10H2.
What are the key properties of 2-(azidomethyl)-3-(2-phenylethynyl)furan?
2-(azidomethyl)-3-(2-phenylethynyl)furan has a molecular weight of 223.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-3-(2-phenylethynyl)furan is sourced from PubChem (CID 102300153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).