3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one

C14H18N2O2 — CID 107682787

IUPAC3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc3c(c2)CCC3N)C1=O
InChIInChI=1S/C14H18N2O2/c1-16-7-6-13(14(16)17)18-10-3-4-11-9(8-10)2-5-12(11)15/h3-4,8,12-13H,2,5-7,15H2,1H3
InChIKeyWJZGUHQTYYNVEZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.24
Rot. Bonds2

About 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one

3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one (PubChem CID 107682787) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one
PubChem CID107682787
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc3c(c2)CCC3N)C1=O
InChIInChI=1S/C14H18N2O2/c1-16-7-6-13(14(16)17)18-10-3-4-11-9(8-10)2-5-12(11)15/h3-4,8,12-13H,2,5-7,15H2,1H3
InChIKeyWJZGUHQTYYNVEZ-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one (CID 107682787) is 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one is CN1CCC(Oc2ccc3c(c2)CCC3N)C1=O.
What is the InChIKey of 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one?
The InChIKey is WJZGUHQTYYNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-7-6-13(14(16)17)18-10-3-4-11-9(8-10)2-5-12(11)15/h3-4,8,12-13H,2,5-7,15H2,1H3.
What are the key properties of 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one?
3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 107682787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).