2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile

C11H11NO — CID 79131493

IUPAC2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(CO)Cc2ccccc2C1
InChIInChI=1S/C11H11NO/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-4,13H,5-6,8H2
InChIKeyTURMWJDQHZNCFC-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.29
Rot. Bonds1

About 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile

2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79131493) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79131493
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(CO)Cc2ccccc2C1
InChIInChI=1S/C11H11NO/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-4,13H,5-6,8H2
InChIKeyTURMWJDQHZNCFC-UHFFFAOYSA-N
XLogP1.29
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile (CID 79131493) is 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile is N#CC1(CO)Cc2ccccc2C1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is TURMWJDQHZNCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-4,13H,5-6,8H2.
What are the key properties of 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile?
2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79131493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).