(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile

C24H24N2O — CID 11893741

IUPAC(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile
SMILESC[C@@H](O[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)C2(C#N)C#N)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(19-10-4-2-5-11-19)27-24-15-9-8-14-21(24)22(23(24,16-25)17-26)20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-15H2,1H3/t18-,21-,22+,24+/m1/s1
InChIKeySWDBMCQPUIRLDP-MWIHYIROSA-N
MW356.47 g/mol
LogP5.52
Rot. Bonds4

About (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile

(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile (PubChem CID 11893741) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile.

Molecular Properties

Compound Name(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile
PubChem CID11893741
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile
SMILESC[C@@H](O[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)C2(C#N)C#N)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(19-10-4-2-5-11-19)27-24-15-9-8-14-21(24)22(23(24,16-25)17-26)20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-15H2,1H3/t18-,21-,22+,24+/m1/s1
InChIKeySWDBMCQPUIRLDP-MWIHYIROSA-N
XLogP5.52
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxybutan-2-yloxy)-2-phenylcyclohexane-1-carbonitrile
CID 103376277
N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107393
1-[[(1-cyanocyclopentyl)-phenylmethoxy]-phenylmethyl]cyclopentane-1-carbonitrile
CID 174519507
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[(1R,2R)-2-phenylcyclohexyl]-4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 69487621
acetonitrile;cyclohexylbenzene
CID 141289539
(S)-[(1S,6S)-7-bromo-7-bicyclo[4.1.0]heptanyl]-phenylmethanol
CID 7036761
(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
CID 167030258
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
1-bromo-2-(1-phenylethoxy)cycloheptane
CID 55193248
[(1S)-1-cyclopentylethyl]benzene
CID 102346711

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile?
The IUPAC name of (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile (CID 11893741) is (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile.
What is the SMILES notation for (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile?
The canonical SMILES for (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile is C[C@@H](O[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)C2(C#N)C#N)c1ccccc1.
What is the InChIKey of (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile?
The InChIKey is SWDBMCQPUIRLDP-MWIHYIROSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18(19-10-4-2-5-11-19)27-24-15-9-8-14-21(24)22(23(24,16-25)17-26)20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-15H2,1H3/t18-,21-,22+,24+/m1/s1.
What are the key properties of (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile?
(1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile has a molecular weight of 356.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-8-phenyl-6-[(1R)-1-phenylethoxy]bicyclo[4.2.0]octane-7,7-dicarbonitrile is sourced from PubChem (CID 11893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).