8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane

C16H22N2O — CID 120855876

IUPAC8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
SMILESc1cc2c(c(CN3CCOCC4(CC4)C3)c1)NCC2
InChIInChI=1S/C16H22N2O/c1-2-13-4-7-17-15(13)14(3-1)10-18-8-9-19-12-16(11-18)5-6-16/h1-3,17H,4-12H2
InChIKeyBFFGOUZRWRNSCJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds2

About 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane

8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane (PubChem CID 120855876) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
PubChem CID120855876
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
SMILESc1cc2c(c(CN3CCOCC4(CC4)C3)c1)NCC2
InChIInChI=1S/C16H22N2O/c1-2-13-4-7-17-15(13)14(3-1)10-18-8-9-19-12-16(11-18)5-6-16/h1-3,17H,4-12H2
InChIKeyBFFGOUZRWRNSCJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
CID 120856919
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3,3-dimethylmorpholine
CID 114327100
4-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)morpholine
CID 28775243
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride
CID 120857722
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane?
The IUPAC name of 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane (CID 120855876) is 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane.
What is the SMILES notation for 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane?
The canonical SMILES for 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane is c1cc2c(c(CN3CCOCC4(CC4)C3)c1)NCC2.
What is the InChIKey of 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane?
The InChIKey is BFFGOUZRWRNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-13-4-7-17-15(13)14(3-1)10-18-8-9-19-12-16(11-18)5-6-16/h1-3,17H,4-12H2.
What are the key properties of 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane?
8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane has a molecular weight of 258.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane is sourced from PubChem (CID 120855876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).