1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole

C17H21NO — CID 102901040

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
SMILESc1ccc2c(c1)ccn2CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H21NO/c1-2-6-16-14(5-1)8-12-18(16)13-15-7-11-17(19-15)9-3-4-10-17/h1-2,5-6,8,12,15H,3-4,7,9-11,13H2
InChIKeyWZRLHWGPHARHOT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.13
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole (PubChem CID 102901040) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
PubChem CID102901040
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
SMILESc1ccc2c(c1)ccn2CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H21NO/c1-2-6-16-14(5-1)8-12-18(16)13-15-7-11-17(19-15)9-3-4-10-17/h1-2,5-6,8,12,15H,3-4,7,9-11,13H2
InChIKeyWZRLHWGPHARHOT-UHFFFAOYSA-N
XLogP4.13
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole (CID 102901040) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole is c1ccc2c(c1)ccn2CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
The InChIKey is WZRLHWGPHARHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-6-16-14(5-1)8-12-18(16)13-15-7-11-17(19-15)9-3-4-10-17/h1-2,5-6,8,12,15H,3-4,7,9-11,13H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole has a molecular weight of 255.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole is sourced from PubChem (CID 102901040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).