5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]

C11H12N2O3 — CID 106701917

IUPAC5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]
SMILESO=[N+]([O-])c1ccc2c(c1)C1(CCOC1)CN2
InChIInChI=1S/C11H12N2O3/c14-13(15)8-1-2-10-9(5-8)11(6-12-10)3-4-16-7-11/h1-2,5,12H,3-4,6-7H2
InChIKeyKYVAGJNMMZRDDE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.68
Rot. Bonds1

About 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]

5-nitrospiro[1,2-dihydroindole-3,3'-oxolane] (PubChem CID 106701917) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane].

Molecular Properties

Compound Name5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]
PubChem CID106701917
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]
SMILESO=[N+]([O-])c1ccc2c(c1)C1(CCOC1)CN2
InChIInChI=1S/C11H12N2O3/c14-13(15)8-1-2-10-9(5-8)11(6-12-10)3-4-16-7-11/h1-2,5,12H,3-4,6-7H2
InChIKeyKYVAGJNMMZRDDE-UHFFFAOYSA-N
XLogP1.68
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]?
The IUPAC name of 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane] (CID 106701917) is 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane].
What is the SMILES notation for 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]?
The canonical SMILES for 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane] is O=[N+]([O-])c1ccc2c(c1)C1(CCOC1)CN2.
What is the InChIKey of 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]?
The InChIKey is KYVAGJNMMZRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-13(15)8-1-2-10-9(5-8)11(6-12-10)3-4-16-7-11/h1-2,5,12H,3-4,6-7H2.
What are the key properties of 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]?
5-nitrospiro[1,2-dihydroindole-3,3'-oxolane] has a molecular weight of 220.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrospiro[1,2-dihydroindole-3,3'-oxolane] is sourced from PubChem (CID 106701917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).