7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol

C18H20N2O2 — CID 136714950

IUPAC7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
SMILESOc1c(/C=N/Cc2ccco2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C18H20N2O2/c21-18-14(11-19-12-15-5-3-9-22-15)10-13-4-1-7-20-8-2-6-16(18)17(13)20/h3,5,9-11,21H,1-2,4,6-8,12H2/b19-11+
InChIKeyGVPFERHOVDJDGT-YBFXNURJSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds3

About 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol

7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol (PubChem CID 136714950) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol.

Molecular Properties

Compound Name7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
PubChem CID136714950
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
SMILESOc1c(/C=N/Cc2ccco2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C18H20N2O2/c21-18-14(11-19-12-15-5-3-9-22-15)10-13-4-1-7-20-8-2-6-16(18)17(13)20/h3,5,9-11,21H,1-2,4,6-8,12H2/b19-11+
InChIKeyGVPFERHOVDJDGT-YBFXNURJSA-N
XLogP3.30
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-hydroxy-3-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]propyl]iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
CID 136677874
1,3-bis[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]thiourea
CID 137119435
2-hydroxy-N-[(Z)-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]benzamide
CID 136717930
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
N-[(E)-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 135822119
4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
CID 25269240
4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
methyl 3-[2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylidene]hydrazinyl]thiophene-2-carboxylate
CID 4001786
5-[(2-hydroxyphenyl)iminomethyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 72545406
bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
CID 170896531
2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)acetonitrile
CID 84792249
tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)
CID 24860049

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The IUPAC name of 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol (CID 136714950) is 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol.
What is the SMILES notation for 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The canonical SMILES for 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol is Oc1c(/C=N/Cc2ccco2)cc2c3c1CCCN3CCC2.
What is the InChIKey of 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The InChIKey is GVPFERHOVDJDGT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18-14(11-19-12-15-5-3-9-22-15)10-13-4-1-7-20-8-2-6-16(18)17(13)20/h3,5,9-11,21H,1-2,4,6-8,12H2/b19-11+.
What are the key properties of 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol has a molecular weight of 296.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyliminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol is sourced from PubChem (CID 136714950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).