3-(azidomethyl)furan

C5H5N3O — CID 23068447

IUPAC3-(azidomethyl)furan
SMILES[N-]=[N+]=NCc1ccoc1
InChIInChI=1S/C5H5N3O/c6-8-7-3-5-1-2-9-4-5/h1-2,4H,3H2
InChIKeyLQCKGSHXLUSSRV-UHFFFAOYSA-N
MW123.11 g/mol
LogP2.09
Rot. Bonds2

About 3-(azidomethyl)furan

3-(azidomethyl)furan (PubChem CID 23068447) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 3-(azidomethyl)furan.

Molecular Properties

Compound Name3-(azidomethyl)furan
PubChem CID23068447
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name3-(azidomethyl)furan
SMILES[N-]=[N+]=NCc1ccoc1
InChIInChI=1S/C5H5N3O/c6-8-7-3-5-1-2-9-4-5/h1-2,4H,3H2
InChIKeyLQCKGSHXLUSSRV-UHFFFAOYSA-N
XLogP2.09
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 52.09
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'}

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Related Compounds

1-(Furan-3-yl)methanamine
CID 2776197
Furan-3-carbothioamide
CID 2779671
1-(Furan-3-yl)methanamine hydrochloride
CID 2795087
Ethyl((furan-3-yl)methyl)amine
CID 23383580
N~1~-[(Furan-3-yl)methyl]ethane-1,2-diamine
CID 62560945
1-(furan-3-yl)-N-methylmethanamine
CID 13112617
Furan-3-carbonyl azide
CID 11499225
N-ethyl-N-(furan-3-ylmethyl)ethanamine
CID 54164025
Furan-3-carboximidamide
CID 2779667
Trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide
CID 63701770
1-(furan-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710535
2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine
CID 131222872

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)furan?
The IUPAC name of 3-(azidomethyl)furan (CID 23068447) is 3-(azidomethyl)furan.
What is the SMILES notation for 3-(azidomethyl)furan?
The canonical SMILES for 3-(azidomethyl)furan is [N-]=[N+]=NCc1ccoc1.
What is the InChIKey of 3-(azidomethyl)furan?
The InChIKey is LQCKGSHXLUSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-8-7-3-5-1-2-9-4-5/h1-2,4H,3H2.
What are the key properties of 3-(azidomethyl)furan?
3-(azidomethyl)furan has a molecular weight of 123.11 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)furan is sourced from PubChem (CID 23068447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).