ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile

C20H26N2O — CID 144811894

IUPACethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile
SMILESCC.CC.N#CC(O)C1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C16H14N2O.2C2H6/c17-10-16(19)14-7-11-4-5-12(8-13(11)9-14)15-3-1-2-6-18-15;2*1-2/h1-6,8,14,16,19H,7,9H2;2*1-2H3
InChIKeyIRGIYJKGHGNSCJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.40
Rot. Bonds2

About ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile

ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile (PubChem CID 144811894) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile.

Molecular Properties

Compound Nameethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile
PubChem CID144811894
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Nameethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile
SMILESCC.CC.N#CC(O)C1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C16H14N2O.2C2H6/c17-10-16(19)14-7-11-4-5-12(8-13(11)9-14)15-3-1-2-6-18-15;2*1-2/h1-6,8,14,16,19H,7,9H2;2*1-2H3
InChIKeyIRGIYJKGHGNSCJ-UHFFFAOYSA-N
XLogP4.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

(3,6-dimethyl-2,3-dihydroindol-1-yl)-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)methanone
CID 170593316
2-(4-pyridin-2-ylphenyl)propanenitrile
CID 139809245
5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11287869
(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69445353
(2S,3R)-5-fluoro-2,3-dimethyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170335992
2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine
CID 177102277
(2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170335979
6-pyridin-2-yl-3,4-dihydro-2H-chromen-3-amine;dihydrochloride
CID 146450870
carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 158701287
5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 170393225
4-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 170393530
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile?
The IUPAC name of ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile (CID 144811894) is ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile.
What is the SMILES notation for ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile?
The canonical SMILES for ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile is CC.CC.N#CC(O)C1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile?
The InChIKey is IRGIYJKGHGNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.2C2H6/c17-10-16(19)14-7-11-4-5-12(8-13(11)9-14)15-3-1-2-6-18-15;2*1-2/h1-6,8,14,16,19H,7,9H2;2*1-2H3.
What are the key properties of ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile?
ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile has a molecular weight of 310.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-2-(5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl)acetonitrile is sourced from PubChem (CID 144811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).