2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran

C10H11N3O2 — CID 86599172

IUPAC2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1cccc2c1OC(CN=[N+]=[N-])C2
InChIInChI=1S/C10H11N3O2/c1-14-9-4-2-3-7-5-8(6-12-13-11)15-10(7)9/h2-4,8H,5-6H2,1H3
InChIKeyMOYGQEDRUPFDFH-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.31
Rot. Bonds3

About 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran

2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran (PubChem CID 86599172) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
PubChem CID86599172
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1cccc2c1OC(CN=[N+]=[N-])C2
InChIInChI=1S/C10H11N3O2/c1-14-9-4-2-3-7-5-8(6-12-13-11)15-10(7)9/h2-4,8H,5-6H2,1H3
InChIKeyMOYGQEDRUPFDFH-UHFFFAOYSA-N
XLogP2.31
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
(7-ethoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 126844412
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
CID 86220883
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
CID 125456577
2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
CID 86599266
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 14437044
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran (CID 86599172) is 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran is COc1cccc2c1OC(CN=[N+]=[N-])C2.
What is the InChIKey of 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran?
The InChIKey is MOYGQEDRUPFDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-9-4-2-3-7-5-8(6-12-13-11)15-10(7)9/h2-4,8H,5-6H2,1H3.
What are the key properties of 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran has a molecular weight of 205.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).