1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile

C13H14N2O — CID 90356337

IUPAC1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CCC2N1CC(O)C1
InChIInChI=1S/C13H14N2O/c14-6-9-2-1-3-12-11(9)4-5-13(12)15-7-10(16)8-15/h1-3,10,13,16H,4-5,7-8H2
InChIKeyFNBSRFZHCCHRTI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.22
Rot. Bonds1

About 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile

1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 90356337) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID90356337
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CCC2N1CC(O)C1
InChIInChI=1S/C13H14N2O/c14-6-9-2-1-3-12-11(9)4-5-13(12)15-7-10(16)8-15/h1-3,10,13,16H,4-5,7-8H2
InChIKeyFNBSRFZHCCHRTI-UHFFFAOYSA-N
XLogP1.22
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 90356337) is 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cccc2c1CCC2N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is FNBSRFZHCCHRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-6-9-2-1-3-12-11(9)4-5-13(12)15-7-10(16)8-15/h1-3,10,13,16H,4-5,7-8H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 90356337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).