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

C14H17NO3 — CID 114091306

IUPAC3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc3c(c2)CC[C@H]3O)C1=O
InChIInChI=1S/C14H17NO3/c1-15-7-6-13(14(15)17)18-10-3-4-11-9(8-10)2-5-12(11)16/h3-4,8,12-13,16H,2,5-7H2,1H3/t12-,13?/m1/s1
InChIKeyKSAMDYHCKAOSHV-PZORYLMUSA-N
MW247.29 g/mol
LogP1.28
Rot. Bonds2

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

3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one (PubChem CID 114091306) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one
PubChem CID114091306
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc3c(c2)CC[C@H]3O)C1=O
InChIInChI=1S/C14H17NO3/c1-15-7-6-13(14(15)17)18-10-3-4-11-9(8-10)2-5-12(11)16/h3-4,8,12-13,16H,2,5-7H2,1H3/t12-,13?/m1/s1
InChIKeyKSAMDYHCKAOSHV-PZORYLMUSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one
CID 107682787
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
2-chloro-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 106500672
4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
CID 82911782
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684644
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091307
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
CID 114281692
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one (CID 114091306) is 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one is CN1CCC(Oc2ccc3c(c2)CC[C@H]3O)C1=O.
What is the InChIKey of 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one?
The InChIKey is KSAMDYHCKAOSHV-PZORYLMUSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15-7-6-13(14(15)17)18-10-3-4-11-9(8-10)2-5-12(11)16/h3-4,8,12-13,16H,2,5-7H2,1H3/t12-,13?/m1/s1.
What are the key properties of 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one?
3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 114091306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).