(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone

C18H23NO3 — CID 110015048

IUPAC(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
SMILESO=C(C1CCCC1O)N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H23NO3/c20-16-7-3-5-14(16)17(21)19-10-11-22-18(12-19)9-8-13-4-1-2-6-15(13)18/h1-2,4,6,14,16,20H,3,5,7-12H2
InChIKeyQNQZGDWMQLAYSR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.85
Rot. Bonds1

About (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone

(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone (PubChem CID 110015048) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
PubChem CID110015048
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
SMILESO=C(C1CCCC1O)N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C18H23NO3/c20-16-7-3-5-14(16)17(21)19-10-11-22-18(12-19)9-8-13-4-1-2-6-15(13)18/h1-2,4,6,14,16,20H,3,5,7-12H2
InChIKeyQNQZGDWMQLAYSR-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The IUPAC name of (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone (CID 110015048) is (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The canonical SMILES for (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone is O=C(C1CCCC1O)N1CCOC2(CCc3ccccc32)C1.
What is the InChIKey of (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The InChIKey is QNQZGDWMQLAYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16-7-3-5-14(16)17(21)19-10-11-22-18(12-19)9-8-13-4-1-2-6-15(13)18/h1-2,4,6,14,16,20H,3,5,7-12H2.
What are the key properties of (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone has a molecular weight of 301.39 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone is sourced from PubChem (CID 110015048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).