3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile

C15H15BrN2 — CID 142503232

IUPAC3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(Br)cn2C1CCCC1
InChIInChI=1S/C15H15BrN2/c1-10-6-15-13(7-11(10)8-17)14(16)9-18(15)12-4-2-3-5-12/h6-7,9,12H,2-5H2,1H3
InChIKeyASKXENHYXZVNHP-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.70
Rot. Bonds1

About 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile

3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile (PubChem CID 142503232) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile
PubChem CID142503232
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(Br)cn2C1CCCC1
InChIInChI=1S/C15H15BrN2/c1-10-6-15-13(7-11(10)8-17)14(16)9-18(15)12-4-2-3-5-12/h6-7,9,12H,2-5H2,1H3
InChIKeyASKXENHYXZVNHP-UHFFFAOYSA-N
XLogP4.70
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22391592
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CID 44373146
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CID 17804807
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CID 972873
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile?
The IUPAC name of 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile (CID 142503232) is 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(Br)cn2C1CCCC1.
What is the InChIKey of 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile?
The InChIKey is ASKXENHYXZVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-10-6-15-13(7-11(10)8-17)14(16)9-18(15)12-4-2-3-5-12/h6-7,9,12H,2-5H2,1H3.
What are the key properties of 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile?
3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile has a molecular weight of 303.20 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopentyl-6-methylindole-5-carbonitrile is sourced from PubChem (CID 142503232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).