1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile

C15H19NO — CID 79129351

IUPAC1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile
SMILESCC(C)C(C)(O)C1(C#N)CCc2ccccc21
InChIInChI=1S/C15H19NO/c1-11(2)14(3,17)15(10-16)9-8-12-6-4-5-7-13(12)15/h4-7,11,17H,8-9H2,1-3H3
InChIKeyGOOUNUTZHHWDNT-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile

1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 79129351) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile
PubChem CID79129351
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile
SMILESCC(C)C(C)(O)C1(C#N)CCc2ccccc21
InChIInChI=1S/C15H19NO/c1-11(2)14(3,17)15(10-16)9-8-12-6-4-5-7-13(12)15/h4-7,11,17H,8-9H2,1-3H3
InChIKeyGOOUNUTZHHWDNT-UHFFFAOYSA-N
XLogP2.80
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-2-methylpentan-3-yl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79129368
1-[1-(4-chlorophenyl)-1-hydroxyethyl]-2,3-dihydroindene-1-carbonitrile
CID 79115593
1-[1-(3-bromophenyl)-1-hydroxyethyl]-2,3-dihydroindene-1-carbonitrile
CID 79115429
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylbutan-2-ol
CID 79127744
1-[1-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79126337
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
1-(1-hydroxy-3-methoxy-3-methylbutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 106676573
tert-butyl N-[1-(2-cyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-2-yl]carbamate
CID 173483368
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
1-[hydroxy-(5-methylfuran-2-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 79137373
2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79129474
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile (CID 79129351) is 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile is CC(C)C(C)(O)C1(C#N)CCc2ccccc21.
What is the InChIKey of 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is GOOUNUTZHHWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(2)14(3,17)15(10-16)9-8-12-6-4-5-7-13(12)15/h4-7,11,17H,8-9H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile?
1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutan-2-yl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 79129351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).