4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

C19H20N2O — CID 44550839

IUPAC4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15+,19?
InChIKeyXYPBJIBUDRIKSD-RTHVDDQRSA-N
MW292.38 g/mol
LogP3.59
Rot. Bonds1

About 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (PubChem CID 44550839) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
PubChem CID44550839
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15+,19?
InChIKeyXYPBJIBUDRIKSD-RTHVDDQRSA-N
XLogP3.59
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (CID 44550839) is 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is CC1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The InChIKey is XYPBJIBUDRIKSD-RTHVDDQRSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15+,19?.
What are the key properties of 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 44550839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).