3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one

C18H23NO3 — CID 67995755

IUPAC3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1OC2(CCC(O)CC2)CCN1[C@H]1CCc2ccccc21
InChIInChI=1S/C18H23NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,14,16,20H,5-12H2/t14?,16-,18?/m0/s1
InChIKeyCZLDGQAQAVILDG-HQVVEAJESA-N
MW301.39 g/mol
LogP3.19
Rot. Bonds1

About 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one

3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 67995755) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID67995755
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1OC2(CCC(O)CC2)CCN1[C@H]1CCc2ccccc21
InChIInChI=1S/C18H23NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,14,16,20H,5-12H2/t14?,16-,18?/m0/s1
InChIKeyCZLDGQAQAVILDG-HQVVEAJESA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-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-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 67995755) is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one is O=C1OC2(CCC(O)CC2)CCN1[C@H]1CCc2ccccc21.
What is the InChIKey of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is CZLDGQAQAVILDG-HQVVEAJESA-N. The full InChI is InChI=1S/C18H23NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,14,16,20H,5-12H2/t14?,16-,18?/m0/s1.
What are the key properties of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 67995755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).