(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran

C8H6N6O — CID 71390027

IUPAC(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=N[C@@H]1Oc2ccccc2[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H6N6O/c9-13-11-7-5-3-1-2-4-6(5)15-8(7)12-14-10/h1-4,7-8H/t7-,8+/m0/s1
InChIKeyFSGBENPHBYPGHB-JGVFFNPUSA-N
MW202.18 g/mol
LogP3.07
Rot. Bonds2

About (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran

(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran (PubChem CID 71390027) has the molecular formula C8H6N6O and a molecular weight of 202.18 g/mol. Its IUPAC name is (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran
PubChem CID71390027
Molecular FormulaC8H6N6O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=N[C@@H]1Oc2ccccc2[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H6N6O/c9-13-11-7-5-3-1-2-4-6(5)15-8(7)12-14-10/h1-4,7-8H/t7-,8+/m0/s1
InChIKeyFSGBENPHBYPGHB-JGVFFNPUSA-N
XLogP3.07
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.07
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

(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
CID 167482973
(1aR,6S,6aS)-6-azido-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 10442175
(3S,4S)-4-azido-3-phenyl-3,4-dihydroisochromen-1-one
CID 57331975
4-azido-4H-1,3-benzodioxine
CID 141368390
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
6,13-diazido-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-5,12-diol
CID 12884697
(1R,2R,3S)-1-azido-3-phenyl-2,3-dihydro-1H-inden-2-ol
CID 135022263
(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 10826537
(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 104853457
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
2-azido-1,3-benzodithiole
CID 12625264
(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide
CID 11289797

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran (CID 71390027) is (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran is [N-]=[N+]=N[C@@H]1Oc2ccccc2[C@@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran?
The InChIKey is FSGBENPHBYPGHB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H6N6O/c9-13-11-7-5-3-1-2-4-6(5)15-8(7)12-14-10/h1-4,7-8H/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran?
(2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran has a molecular weight of 202.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-diazido-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 71390027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).