5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol

C33H34N2O2 — CID 158800895

IUPAC5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol
SMILESCCCc1ccc(/N=C/c2cc3c(cc2O)C2CCC3C2)c(/N=C/c2cc3c(cc2O)C2CCC3C2)c1
InChIInChI=1S/C33H34N2O2/c1-2-3-19-4-9-30(34-17-24-13-26-20-5-7-22(11-20)28(26)15-32(24)36)31(10-19)35-18-25-14-27-21-6-8-23(12-21)29(27)16-33(25)37/h4,9-10,13-18,20-23,36-37H,2-3,5-8,11-12H2,1H3/b34-17+,35-18+
InChIKeyGGFNDWNNGNMAIU-JZFGTTBJSA-N
MW490.65 g/mol
LogP8.28
Rot. Bonds6

About 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol

5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol (PubChem CID 158800895) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol
PubChem CID158800895
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol
SMILESCCCc1ccc(/N=C/c2cc3c(cc2O)C2CCC3C2)c(/N=C/c2cc3c(cc2O)C2CCC3C2)c1
InChIInChI=1S/C33H34N2O2/c1-2-3-19-4-9-30(34-17-24-13-26-20-5-7-22(11-20)28(26)15-32(24)36)31(10-19)35-18-25-14-27-21-6-8-23(12-21)29(27)16-33(25)37/h4,9-10,13-18,20-23,36-37H,2-3,5-8,11-12H2,1H3/b34-17+,35-18+
InChIKeyGGFNDWNNGNMAIU-JZFGTTBJSA-N
XLogP8.28
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol?
The IUPAC name of 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol (CID 158800895) is 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol?
The canonical SMILES for 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol is CCCc1ccc(/N=C/c2cc3c(cc2O)C2CCC3C2)c(/N=C/c2cc3c(cc2O)C2CCC3C2)c1.
What is the InChIKey of 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol?
The InChIKey is GGFNDWNNGNMAIU-JZFGTTBJSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-2-3-19-4-9-30(34-17-24-13-26-20-5-7-22(11-20)28(26)15-32(24)36)31(10-19)35-18-25-14-27-21-6-8-23(12-21)29(27)16-33(25)37/h4,9-10,13-18,20-23,36-37H,2-3,5-8,11-12H2,1H3/b34-17+,35-18+.
What are the key properties of 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol?
5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol has a molecular weight of 490.65 g/mol, XLogP of 8.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 158800895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).