1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C18H22N2O2 — CID 110203851

IUPAC1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C18H22N2O2/c21-17(16-13-14-5-1-2-6-15(14)19-16)20-10-8-18(9-11-20)7-3-4-12-22-18/h1-2,5-6,13,19H,3-4,7-12H2
InChIKeyBDYJPHQIXOMKDV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.34
Rot. Bonds1

About 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110203851) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110203851
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C18H22N2O2/c21-17(16-13-14-5-1-2-6-15(14)19-16)20-10-8-18(9-11-20)7-3-4-12-22-18/h1-2,5-6,13,19H,3-4,7-12H2
InChIKeyBDYJPHQIXOMKDV-UHFFFAOYSA-N
XLogP3.34
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110203851) is 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is BDYJPHQIXOMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(16-13-14-5-1-2-6-15(14)19-16)20-10-8-18(9-11-20)7-3-4-12-22-18/h1-2,5-6,13,19H,3-4,7-12H2.
What are the key properties of 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).