N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine

C13H16N2O — CID 59355770

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine
SMILESCN1CCO/C1=N\C1CCc2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-8-9-16-13(15)14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3/b14-13-
InChIKeyCQTSDLRDXIXNAY-YPKPFQOOSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds1

About N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine

N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine (PubChem CID 59355770) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine
PubChem CID59355770
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine
SMILESCN1CCO/C1=N\C1CCc2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-8-9-16-13(15)14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3/b14-13-
InChIKeyCQTSDLRDXIXNAY-YPKPFQOOSA-N
XLogP1.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine (CID 59355770) is N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine is CN1CCO/C1=N\C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine?
The InChIKey is CQTSDLRDXIXNAY-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-9-16-13(15)14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3/b14-13-.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine?
N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine has a molecular weight of 216.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-methyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 59355770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).