9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

C18H24N2O2 — CID 134804424

IUPAC9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCN(Cc3cccc4[nH]ccc34)CC2)C1
InChIInChI=1S/C18H24N2O2/c21-15-5-11-22-18(12-15)6-9-20(10-7-18)13-14-2-1-3-17-16(14)4-8-19-17/h1-4,8,15,19,21H,5-7,9-13H2
InChIKeyUEFKLRCWOGTAHY-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.67
Rot. Bonds2

About 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 134804424) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID134804424
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCN(Cc3cccc4[nH]ccc34)CC2)C1
InChIInChI=1S/C18H24N2O2/c21-15-5-11-22-18(12-15)6-9-20(10-7-18)13-14-2-1-3-17-16(14)4-8-19-17/h1-4,8,15,19,21H,5-7,9-13H2
InChIKeyUEFKLRCWOGTAHY-UHFFFAOYSA-N
XLogP2.67
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 134804424) is 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol is OC1CCOC2(CCN(Cc3cccc4[nH]ccc34)CC2)C1.
What is the InChIKey of 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is UEFKLRCWOGTAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-15-5-11-22-18(12-15)6-9-20(10-7-18)13-14-2-1-3-17-16(14)4-8-19-17/h1-4,8,15,19,21H,5-7,9-13H2.
What are the key properties of 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 300.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 134804424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).