3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one

C13H15NO3 — CID 55179901

IUPAC3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one
SMILESNC1CCc2c(OC3CCOC3=O)cccc21
InChIInChI=1S/C13H15NO3/c14-10-5-4-9-8(10)2-1-3-11(9)17-12-6-7-16-13(12)15/h1-3,10,12H,4-7,14H2
InChIKeyRSIZTYHRVJGPAC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.33
Rot. Bonds2

About 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one

3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one (PubChem CID 55179901) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one.

Molecular Properties

Compound Name3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one
PubChem CID55179901
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one
SMILESNC1CCc2c(OC3CCOC3=O)cccc21
InChIInChI=1S/C13H15NO3/c14-10-5-4-9-8(10)2-1-3-11(9)17-12-6-7-16-13(12)15/h1-3,10,12H,4-7,14H2
InChIKeyRSIZTYHRVJGPAC-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one?
The IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one (CID 55179901) is 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one.
What is the SMILES notation for 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one?
The canonical SMILES for 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one is NC1CCc2c(OC3CCOC3=O)cccc21.
What is the InChIKey of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one?
The InChIKey is RSIZTYHRVJGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c14-10-5-4-9-8(10)2-1-3-11(9)17-12-6-7-16-13(12)15/h1-3,10,12H,4-7,14H2.
What are the key properties of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one?
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]oxolan-2-one is sourced from PubChem (CID 55179901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).