[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol

C17H21NO — CID 102913233

IUPAC[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol
SMILESOCc1ccc2ccn(CC3CC4CCC3C4)c2c1
InChIInChI=1S/C17H21NO/c19-11-13-2-3-14-5-6-18(17(14)9-13)10-16-8-12-1-4-15(16)7-12/h2-3,5-6,9,12,15-16,19H,1,4,7-8,10-11H2
InChIKeyJHRQTNCOZBXIBZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.57
Rot. Bonds3

About [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol

[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol (PubChem CID 102913233) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol
PubChem CID102913233
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol
SMILESOCc1ccc2ccn(CC3CC4CCC3C4)c2c1
InChIInChI=1S/C17H21NO/c19-11-13-2-3-14-5-6-18(17(14)9-13)10-16-8-12-1-4-15(16)7-12/h2-3,5-6,9,12,15-16,19H,1,4,7-8,10-11H2
InChIKeyJHRQTNCOZBXIBZ-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
CID 79550159
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-yl]methanol
CID 79549795
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol (CID 102913233) is [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol is OCc1ccc2ccn(CC3CC4CCC3C4)c2c1.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol?
The InChIKey is JHRQTNCOZBXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-11-13-2-3-14-5-6-18(17(14)9-13)10-16-8-12-1-4-15(16)7-12/h2-3,5-6,9,12,15-16,19H,1,4,7-8,10-11H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol?
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol is sourced from PubChem (CID 102913233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).