3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile

C24H24N2O — CID 158428142

IUPAC3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C24H24N2O/c1-15-10-24-22(11-17(15)13-25)23(14-26(24)18-8-9-19(27)12-18)21-7-3-5-16-4-2-6-20(16)21/h3,5,7,10-11,14,18-19,27H,2,4,6,8-9,12H2,1H3/t18-,19-/m1/s1
InChIKeyGLBIGIUQTFSRML-RTBURBONSA-N
MW356.47 g/mol
LogP5.06
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile

3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile (PubChem CID 158428142) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
PubChem CID158428142
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C24H24N2O/c1-15-10-24-22(11-17(15)13-25)23(14-26(24)18-8-9-19(27)12-18)21-7-3-5-16-4-2-6-20(16)21/h3,5,7,10-11,14,18-19,27H,2,4,6,8-9,12H2,1H3/t18-,19-/m1/s1
InChIKeyGLBIGIUQTFSRML-RTBURBONSA-N
XLogP5.06
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile (CID 158428142) is 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The InChIKey is GLBIGIUQTFSRML-RTBURBONSA-N. The full InChI is InChI=1S/C24H24N2O/c1-15-10-24-22(11-17(15)13-25)23(14-26(24)18-8-9-19(27)12-18)21-7-3-5-16-4-2-6-20(16)21/h3,5,7,10-11,14,18-19,27H,2,4,6,8-9,12H2,1H3/t18-,19-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile is sourced from PubChem (CID 158428142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).