5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one

C14H17NO3 — CID 114281692

IUPAC5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CCC(COc2ccc3c(c2)CC[C@@H]3O)N1
InChIInChI=1S/C14H17NO3/c16-13-5-1-9-7-11(3-4-12(9)13)18-8-10-2-6-14(17)15-10/h3-4,7,10,13,16H,1-2,5-6,8H2,(H,15,17)/t10?,13-/m0/s1
InChIKeyOKYPOBZYEDVXEQ-HQVZTVAUSA-N
MW247.29 g/mol
LogP1.32
Rot. Bonds3

About 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one

5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 114281692) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID114281692
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CCC(COc2ccc3c(c2)CC[C@@H]3O)N1
InChIInChI=1S/C14H17NO3/c16-13-5-1-9-7-11(3-4-12(9)13)18-8-10-2-6-14(17)15-10/h3-4,7,10,13,16H,1-2,5-6,8H2,(H,15,17)/t10?,13-/m0/s1
InChIKeyOKYPOBZYEDVXEQ-HQVZTVAUSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one (CID 114281692) is 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one is O=C1CCC(COc2ccc3c(c2)CC[C@@H]3O)N1.
What is the InChIKey of 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is OKYPOBZYEDVXEQ-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-5-1-9-7-11(3-4-12(9)13)18-8-10-2-6-14(17)15-10/h3-4,7,10,13,16H,1-2,5-6,8H2,(H,15,17)/t10?,13-/m0/s1.
What are the key properties of 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one?
5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 114281692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).