(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

C18H23NO2 — CID 71869729

IUPAC(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESCCC1COCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H23NO2/c1-2-14-12-21-10-9-19(14)17(20)16-11-18(16)8-7-13-5-3-4-6-15(13)18/h3-6,14,16H,2,7-12H2,1H3
InChIKeyCXKYCKXJVKPIPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.53
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone

(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (PubChem CID 71869729) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
PubChem CID71869729
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
SMILESCCC1COCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C18H23NO2/c1-2-14-12-21-10-9-19(14)17(20)16-11-18(16)8-7-13-5-3-4-6-15(13)18/h3-6,14,16H,2,7-12H2,1H3
InChIKeyCXKYCKXJVKPIPO-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone (CID 71869729) is (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is CCC1COCCN1C(=O)C1CC12CCc1ccccc12.
What is the InChIKey of (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
The InChIKey is CXKYCKXJVKPIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-14-12-21-10-9-19(14)17(20)16-11-18(16)8-7-13-5-3-4-6-15(13)18/h3-6,14,16H,2,7-12H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone?
(3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone is sourced from PubChem (CID 71869729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).