1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile

C15H17NO2 — CID 79136458

IUPAC1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(C(O)C2CCOC2)CCc2ccccc21
InChIInChI=1S/C15H17NO2/c16-10-15(14(17)12-6-8-18-9-12)7-5-11-3-1-2-4-13(11)15/h1-4,12,14,17H,5-9H2
InChIKeyRBBXYULSHAMYIH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds2

About 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile

1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile (PubChem CID 79136458) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
PubChem CID79136458
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(C(O)C2CCOC2)CCc2ccccc21
InChIInChI=1S/C15H17NO2/c16-10-15(14(17)12-6-8-18-9-12)7-5-11-3-1-2-4-13(11)15/h1-4,12,14,17H,5-9H2
InChIKeyRBBXYULSHAMYIH-UHFFFAOYSA-N
XLogP1.79
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile (CID 79136458) is 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile is N#CC1(C(O)C2CCOC2)CCc2ccccc21.
What is the InChIKey of 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile?
The InChIKey is RBBXYULSHAMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-10-15(14(17)12-6-8-18-9-12)7-5-11-3-1-2-4-13(11)15/h1-4,12,14,17H,5-9H2.
What are the key properties of 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile?
1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 79136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).