2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile

C14H17NO — CID 79131068

IUPAC2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile
SMILESCCC(C)(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C14H17NO/c1-3-13(2,16)14(10-15)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyGFVMGZHTNUVELG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.46
Rot. Bonds2

About 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile

2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79131068) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79131068
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile
SMILESCCC(C)(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C14H17NO/c1-3-13(2,16)14(10-15)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyGFVMGZHTNUVELG-UHFFFAOYSA-N
XLogP2.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79129474
2-(6,6,6-trifluoro-2-hydroxyhexan-2-yl)-1,3-dihydroindene-2-carbonitrile
CID 116536365
2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
CID 79130749
2-(1-cyclopropyl-1-hydroxypropyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79132640
1-(2-hydroxybutan-2-yl)-4-methylcyclohexane-1-carbonitrile
CID 79129884
2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
CID 79131493
2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol
CID 79128658
2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile
CID 65407468
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045
3-ethyl-1-(2-hydroxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79131191
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
1-[1-(2-fluorophenyl)-1-hydroxypropyl]cycloheptane-1-carbonitrile
CID 115997291

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile (CID 79131068) is 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile is CCC(C)(O)C1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is GFVMGZHTNUVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13(2,16)14(10-15)8-11-6-4-5-7-12(11)9-14/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile?
2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79131068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).