2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile

C11H11NO2 — CID 63090888

IUPAC2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
SMILESN#CCOc1cccc2c1CCC2O
InChIInChI=1S/C11H11NO2/c12-6-7-14-11-3-1-2-8-9(11)4-5-10(8)13/h1-3,10,13H,4-5,7H2
InChIKeyFPQBMHXTHMFQAT-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.57
Rot. Bonds2

About 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile (PubChem CID 63090888) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
PubChem CID63090888
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
SMILESN#CCOc1cccc2c1CCC2O
InChIInChI=1S/C11H11NO2/c12-6-7-14-11-3-1-2-8-9(11)4-5-10(8)13/h1-3,10,13H,4-5,7H2
InChIKeyFPQBMHXTHMFQAT-UHFFFAOYSA-N
XLogP1.57
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile?
The IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile (CID 63090888) is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile is N#CCOc1cccc2c1CCC2O.
What is the InChIKey of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile?
The InChIKey is FPQBMHXTHMFQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-6-7-14-11-3-1-2-8-9(11)4-5-10(8)13/h1-3,10,13H,4-5,7H2.
What are the key properties of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile?
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile has a molecular weight of 189.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile is sourced from PubChem (CID 63090888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).