3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile

C17H20N2O — CID 24747938

IUPAC3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile
SMILESCCc1c(C2(O)CCCCC2)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C17H20N2O/c1-2-13-14-10-12(11-18)6-7-15(14)19-16(13)17(20)8-4-3-5-9-17/h6-7,10,19-20H,2-5,8-9H2,1H3
InChIKeyWPIPWLKPIGERCS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.75
Rot. Bonds2

About 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile

3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile (PubChem CID 24747938) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile
PubChem CID24747938
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile
SMILESCCc1c(C2(O)CCCCC2)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C17H20N2O/c1-2-13-14-10-12(11-18)6-7-15(14)19-16(13)17(20)8-4-3-5-9-17/h6-7,10,19-20H,2-5,8-9H2,1H3
InChIKeyWPIPWLKPIGERCS-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-indol-2-yl)methanol
CID 98783
2-[6-(1-Hydroxycyclohexyl)pyridin-2-Yl]-1h-Indole-5-Carboximidamide
CID 121232387
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-phenyl-1H-indole-2-carbonitrile
CID 21318138
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
CID 10378448
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 24818824
2,3-bis(2-hydroxypropan-2-yl)-1H-indole-5-carbonitrile
CID 24819162
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058299

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile (CID 24747938) is 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile is CCc1c(C2(O)CCCCC2)[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile?
The InChIKey is WPIPWLKPIGERCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-14-10-12(11-18)6-7-15(14)19-16(13)17(20)8-4-3-5-9-17/h6-7,10,19-20H,2-5,8-9H2,1H3.
What are the key properties of 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile?
3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 24747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).