1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile

C18H20N2O — CID 107920440

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H20N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,13H2
InChIKeyLHMDSTGMCXAZOQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.00
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile (PubChem CID 107920440) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
PubChem CID107920440
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H20N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,13H2
InChIKeyLHMDSTGMCXAZOQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
CID 102897950
4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901067
3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]benzonitrile
CID 102898003
4-(1-oxaspiro[4.4]nonan-2-ylmethylamino)benzonitrile
CID 102896695
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116619600
3-methoxy-4-(1-oxaspiro[4.4]nonan-2-ylmethylamino)benzonitrile
CID 102897797
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
CID 102898721
1-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
CID 102898720
1-[3-(cyclohexylamino)propyl]indole-5-carbonitrile
CID 107920048

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile (CID 107920440) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2CC2CCC3(CCCC3)O2)c1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile?
The InChIKey is LHMDSTGMCXAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-12-14-3-4-17-15(11-14)6-10-20(17)13-16-5-9-18(21-16)7-1-2-8-18/h3-4,6,10-11,16H,1-2,5,7-9,13H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile is sourced from PubChem (CID 107920440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).