3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile

C15H15BrN2O — CID 142503080

IUPAC3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(Br)cn2C1CCC(O)C1
InChIInChI=1S/C15H15BrN2O/c1-9-4-15-13(5-10(9)7-17)14(16)8-18(15)11-2-3-12(19)6-11/h4-5,8,11-12,19H,2-3,6H2,1H3
InChIKeyVFJTUZJORLZFTH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.67
Rot. Bonds1

About 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile

3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile (PubChem CID 142503080) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile
PubChem CID142503080
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(Br)cn2C1CCC(O)C1
InChIInChI=1S/C15H15BrN2O/c1-9-4-15-13(5-10(9)7-17)14(16)8-18(15)11-2-3-12(19)6-11/h4-5,8,11-12,19H,2-3,6H2,1H3
InChIKeyVFJTUZJORLZFTH-UHFFFAOYSA-N
XLogP3.67
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile
CID 142503232
3-bromo-1-(3-cyanocyclobutyl)-6-methylindole-5-carbonitrile
CID 137367939
3-bromo-6-methyl-1-(4-methylidenecyclohexyl)indole-5-carbonitrile
CID 134395114
3-(5-amino-4-methyl-3-pyridinyl)-1-[(1S,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
CID 154628646
3-(5-amino-4-methyl-3-pyridinyl)-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile
CID 134395110
3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
CID 158428142
3-bromo-1-[[(1R,3S)-3-hydroxycyclohexyl]methyl]-6-methylindole-5-carbonitrile
CID 163657887
3-bromo-6-methyl-1-(1-oxaspiro[4.5]decan-8-yl)indole-5-carbonitrile;ethane
CID 142503383
3-bromo-6-methyl-1-propylindole-5-carbonitrile
CID 142503119
3-bromo-1-[3-(3-hydroxypropoxy)propyl]-6-methylindole-5-carbonitrile
CID 137367728
5-bromo-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzonitrile
CID 114890689
3-bromo-6-methyl-1-(4-methylsulfonylphenyl)indole-5-carbonitrile
CID 137368034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile (CID 142503080) is 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(Br)cn2C1CCC(O)C1.
What is the InChIKey of 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile?
The InChIKey is VFJTUZJORLZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-4-15-13(5-10(9)7-17)14(16)8-18(15)11-2-3-12(19)6-11/h4-5,8,11-12,19H,2-3,6H2,1H3.
What are the key properties of 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile?
3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile has a molecular weight of 319.20 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-hydroxycyclopentyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 142503080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).