2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine

C12H16N2O — CID 66000511

IUPAC2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(C1CCOC1)C2
InChIInChI=1S/C12H16N2O/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-2,5,12H,3-4,6-8,13H2
InChIKeyGSKOJXBTJSPOKV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.37
Rot. Bonds1

About 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine

2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine (PubChem CID 66000511) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
PubChem CID66000511
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(C1CCOC1)C2
InChIInChI=1S/C12H16N2O/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-2,5,12H,3-4,6-8,13H2
InChIKeyGSKOJXBTJSPOKV-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine (CID 66000511) is 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(C1CCOC1)C2.
What is the InChIKey of 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine?
The InChIKey is GSKOJXBTJSPOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-2,5,12H,3-4,6-8,13H2.
What are the key properties of 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine?
2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine has a molecular weight of 204.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 66000511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).