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

C18H24N2O2 — CID 97198484

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CN1CCC[C@@]2(CCOC2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O2/c21-17(20-10-6-15-4-1-2-5-16(15)20)12-19-9-3-7-18(13-19)8-11-22-14-18/h1-2,4-5H,3,6-14H2/t18-/m1/s1
InChIKeyNABKBFQTHYZNMG-GOSISDBHSA-N
MW300.40 g/mol
LogP2.08
Rot. Bonds2

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

1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97198484) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID97198484
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CN1CCC[C@@]2(CCOC2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O2/c21-17(20-10-6-15-4-1-2-5-16(15)20)12-19-9-3-7-18(13-19)8-11-22-14-18/h1-2,4-5H,3,6-14H2/t18-/m1/s1
InChIKeyNABKBFQTHYZNMG-GOSISDBHSA-N
XLogP2.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97198484) is 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(CN1CCC[C@@]2(CCOC2)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is NABKBFQTHYZNMG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(20-10-6-15-4-1-2-5-16(15)20)12-19-9-3-7-18(13-19)8-11-22-14-18/h1-2,4-5H,3,6-14H2/t18-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 300.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97198484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).