2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane

C10H10N4O4 — CID 16749260

IUPAC2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane
SMILES[N-]=[N+]=NCC1(c2cccc([N+](=O)[O-])c2)OCCO1
InChIInChI=1S/C10H10N4O4/c11-13-12-7-10(17-4-5-18-10)8-2-1-3-9(6-8)14(15)16/h1-3,6H,4-5,7H2
InChIKeyGXDBBYLBFUBMEO-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.10
Rot. Bonds4

About 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane

2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane (PubChem CID 16749260) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane
PubChem CID16749260
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane
SMILES[N-]=[N+]=NCC1(c2cccc([N+](=O)[O-])c2)OCCO1
InChIInChI=1S/C10H10N4O4/c11-13-12-7-10(17-4-5-18-10)8-2-1-3-9(6-8)14(15)16/h1-3,6H,4-5,7H2
InChIKeyGXDBBYLBFUBMEO-UHFFFAOYSA-N
XLogP2.10
TPSA110.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-nitrobenzene;hydrofluoride
CID 161250805
(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-N-[[2-(3-nitrophenyl)-1,3-dioxolan-2-yl]methyl]-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 16748297
(2R,4R)-2-(azidomethyl)-4-(3-nitrophenyl)oxolane
CID 125455635
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
2-azido-N-(3-nitrophenyl)acetamide
CID 98880869
1-(2-azidoethyl)-3-(3-nitrophenyl)urea
CID 61343252
2-(3-nitrophenyl)spiro[3.4]octan-2-amine
CID 103194024
bis(3-nitrophenyl)diazene
CID 10858607
2-[3-(3-nitrophenyl)oxetan-3-yl]acetohydrazide
CID 139349935
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
2-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane?
The IUPAC name of 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane (CID 16749260) is 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane is [N-]=[N+]=NCC1(c2cccc([N+](=O)[O-])c2)OCCO1.
What is the InChIKey of 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane?
The InChIKey is GXDBBYLBFUBMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c11-13-12-7-10(17-4-5-18-10)8-2-1-3-9(6-8)14(15)16/h1-3,6H,4-5,7H2.
What are the key properties of 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane?
2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane has a molecular weight of 250.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2-(3-nitrophenyl)-1,3-dioxolane is sourced from PubChem (CID 16749260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).