2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C15H19NO — CID 79129474

IUPAC2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCCC(C)(O)C1(C#N)CCc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-3-14(2,17)15(11-16)9-8-12-6-4-5-7-13(12)10-15/h4-7,17H,3,8-10H2,1-2H3
InChIKeyLNUDNYVOEIFQGX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.85
Rot. Bonds2

About 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 79129474) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID79129474
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCCC(C)(O)C1(C#N)CCc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-3-14(2,17)15(11-16)9-8-12-6-4-5-7-13(12)10-15/h4-7,17H,3,8-10H2,1-2H3
InChIKeyLNUDNYVOEIFQGX-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile
CID 79131068
2-(1-cyclopropyl-1-hydroxypropyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79132640
2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
CID 79130749
2-(6,6,6-trifluoro-2-hydroxyhexan-2-yl)-1,3-dihydroindene-2-carbonitrile
CID 116536365
1-(2-hydroxybutan-2-yl)-4-methylcyclohexane-1-carbonitrile
CID 79129884
1-[1-(2-fluorophenyl)-1-hydroxypropyl]cycloheptane-1-carbonitrile
CID 115997291
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184
1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
CID 79129358
2-(2-methylpentyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65407860
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
CID 19919898
3-ethyl-1-(2-hydroxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79131191
1-(3-hydroxy-2-methylpentan-3-yl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79129368

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 79129474) is 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile is CCC(C)(O)C1(C#N)CCc2ccccc2C1.
What is the InChIKey of 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is LNUDNYVOEIFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-14(2,17)15(11-16)9-8-12-6-4-5-7-13(12)10-15/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(2-hydroxybutan-2-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 2.85, 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)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 79129474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).