1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile

C18H23NO2 — CID 79123347

IUPAC1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile
SMILESCCC1(C)CC(O)(C2(C#N)CCc3ccccc32)CCO1
InChIInChI=1S/C18H23NO2/c1-3-16(2)12-18(20,10-11-21-16)17(13-19)9-8-14-6-4-5-7-15(14)17/h4-7,20H,3,8-12H2,1-2H3
InChIKeyUEWJCGVUXYDDFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.10
Rot. Bonds2

About 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile

1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 79123347) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile
PubChem CID79123347
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile
SMILESCCC1(C)CC(O)(C2(C#N)CCc3ccccc32)CCO1
InChIInChI=1S/C18H23NO2/c1-3-16(2)12-18(20,10-11-21-16)17(13-19)9-8-14-6-4-5-7-15(14)17/h4-7,20H,3,8-12H2,1-2H3
InChIKeyUEWJCGVUXYDDFM-UHFFFAOYSA-N
XLogP3.10
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile (CID 79123347) is 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile is CCC1(C)CC(O)(C2(C#N)CCc3ccccc32)CCO1.
What is the InChIKey of 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is UEWJCGVUXYDDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-16(2)12-18(20,10-11-21-16)17(13-19)9-8-14-6-4-5-7-15(14)17/h4-7,20H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile?
1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 79123347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).