2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile

C20H26N2O2 — CID 68848815

IUPAC2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCO[C@H]1C2C[C@](C)(O)[C@@H]1CCN2CC1Cc2ccc(C#N)cc2C1
InChIInChI=1S/C20H26N2O2/c1-20(23)10-18-19(24-2)17(20)5-6-22(18)12-14-8-15-4-3-13(11-21)7-16(15)9-14/h3-4,7,14,17-19,23H,5-6,8-10,12H2,1-2H3/t14?,17-,18?,19-,20+/m1/s1
InChIKeyZPKNKGNSYJFVGH-UQXCFVLSSA-N
MW326.44 g/mol
LogP2.13
Rot. Bonds3

About 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile

2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 68848815) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID68848815
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCO[C@H]1C2C[C@](C)(O)[C@@H]1CCN2CC1Cc2ccc(C#N)cc2C1
InChIInChI=1S/C20H26N2O2/c1-20(23)10-18-19(24-2)17(20)5-6-22(18)12-14-8-15-4-3-13(11-21)7-16(15)9-14/h3-4,7,14,17-19,23H,5-6,8-10,12H2,1-2H3/t14?,17-,18?,19-,20+/m1/s1
InChIKeyZPKNKGNSYJFVGH-UQXCFVLSSA-N
XLogP2.13
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

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Related Compounds

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(2S)-2-[[(3R,4R)-3-methoxy-4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
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(2S)-2-[[(3R,4R)-4-[2-(1-hydroxypropyl)-5-methylbenzimidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
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(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
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methyl 2-[(1R)-5-cyano-1-methyl-2,3-dihydroinden-1-yl]acetate
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6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
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3-fluoro-4-[2-(1-methylpiperidin-4-yl)ethylamino]benzonitrile
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5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile (CID 68848815) is 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile is CO[C@H]1C2C[C@](C)(O)[C@@H]1CCN2CC1Cc2ccc(C#N)cc2C1.
What is the InChIKey of 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is ZPKNKGNSYJFVGH-UQXCFVLSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(23)10-18-19(24-2)17(20)5-6-22(18)12-14-8-15-4-3-13(11-21)7-16(15)9-14/h3-4,7,14,17-19,23H,5-6,8-10,12H2,1-2H3/t14?,17-,18?,19-,20+/m1/s1.
What are the key properties of 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 326.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R,6S,8R)-6-hydroxy-8-methoxy-6-methyl-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 68848815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).