3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile

C17H18N2O — CID 107916614

IUPAC3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)C3CCCCCC3)c[nH]c2c1
InChIInChI=1S/C17H18N2O/c18-10-12-7-8-14-15(11-19-16(14)9-12)17(20)13-5-3-1-2-4-6-13/h7-9,11,13,19H,1-6H2
InChIKeyCTUAPBSHMNGTFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds2

About 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile

3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile (PubChem CID 107916614) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
PubChem CID107916614
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)C3CCCCCC3)c[nH]c2c1
InChIInChI=1S/C17H18N2O/c18-10-12-7-8-14-15(11-19-16(14)9-12)17(20)13-5-3-1-2-4-6-13/h7-9,11,13,19H,1-6H2
InChIKeyCTUAPBSHMNGTFY-UHFFFAOYSA-N
XLogP4.19
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile (CID 107916614) is 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)C3CCCCCC3)c[nH]c2c1.
What is the InChIKey of 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile?
The InChIKey is CTUAPBSHMNGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-10-12-7-8-14-15(11-19-16(14)9-12)17(20)13-5-3-1-2-4-6-13/h7-9,11,13,19H,1-6H2.
What are the key properties of 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile?
3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).