1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C19H26N2O3 — CID 124939634

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCO[C@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCCO2
InChIInChI=1S/C19H26N2O3/c1-23-17-8-10-20(14-19(17)9-4-12-24-19)13-18(22)21-11-7-15-5-2-3-6-16(15)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19-/m0/s1
InChIKeyAAVRCEIJCZPSPH-HKUYNNGSSA-N
MW330.43 g/mol
LogP1.85
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 124939634) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID124939634
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCO[C@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCCO2
InChIInChI=1S/C19H26N2O3/c1-23-17-8-10-20(14-19(17)9-4-12-24-19)13-18(22)21-11-7-15-5-2-3-6-16(15)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19-/m0/s1
InChIKeyAAVRCEIJCZPSPH-HKUYNNGSSA-N
XLogP1.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 110159674
(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722710
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 124939634) is 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is CO[C@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCCO2.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is AAVRCEIJCZPSPH-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-17-8-10-20(14-19(17)9-4-12-24-19)13-18(22)21-11-7-15-5-2-3-6-16(15)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19-/m0/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 124939634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).