(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C25H28N2O — CID 52945174

IUPAC(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1cccc(Cn2cc(/C=C3/C(O)C4CCN3CC4)c3cc(C)ccc32)c1
InChIInChI=1S/C25H28N2O/c1-17-4-3-5-19(12-17)15-27-16-21(22-13-18(2)6-7-23(22)27)14-24-25(28)20-8-10-26(24)11-9-20/h3-7,12-14,16,20,25,28H,8-11,15H2,1-2H3/b24-14-
InChIKeyFHNBDDZCOVNESU-OYKKKHCWSA-N
MW372.51 g/mol
LogP4.73
Rot. Bonds3

About (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 52945174) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID52945174
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1cccc(Cn2cc(/C=C3/C(O)C4CCN3CC4)c3cc(C)ccc32)c1
InChIInChI=1S/C25H28N2O/c1-17-4-3-5-19(12-17)15-27-16-21(22-13-18(2)6-7-23(22)27)14-24-25(28)20-8-10-26(24)11-9-20/h3-7,12-14,16,20,25,28H,8-11,15H2,1-2H3/b24-14-
InChIKeyFHNBDDZCOVNESU-OYKKKHCWSA-N
XLogP4.73
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 52945174) is (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is Cc1cccc(Cn2cc(/C=C3/C(O)C4CCN3CC4)c3cc(C)ccc32)c1.
What is the InChIKey of (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is FHNBDDZCOVNESU-OYKKKHCWSA-N. The full InChI is InChI=1S/C25H28N2O/c1-17-4-3-5-19(12-17)15-27-16-21(22-13-18(2)6-7-23(22)27)14-24-25(28)20-8-10-26(24)11-9-20/h3-7,12-14,16,20,25,28H,8-11,15H2,1-2H3/b24-14-.
What are the key properties of (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
(2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 372.51 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[5-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 52945174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).