13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C23H27NO2 — CID 90745141

IUPAC13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCC=C=CC1C2Cc3ccc(O)cc3C1(CC)CCN2Cc1ccco1
InChIInChI=1S/C23H27NO2/c1-3-5-8-20-22-14-17-9-10-18(25)15-21(17)23(20,4-2)11-12-24(22)16-19-7-6-13-26-19/h3,6-10,13,15,20,22,25H,4,11-12,14,16H2,1-2H3
InChIKeyFYPDFGFTCFOQLN-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.81
Rot. Bonds4

About 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 90745141) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID90745141
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCC=C=CC1C2Cc3ccc(O)cc3C1(CC)CCN2Cc1ccco1
InChIInChI=1S/C23H27NO2/c1-3-5-8-20-22-14-17-9-10-18(25)15-21(17)23(20,4-2)11-12-24(22)16-19-7-6-13-26-19/h3,6-10,13,15,20,22,25H,4,11-12,14,16H2,1-2H3
InChIKeyFYPDFGFTCFOQLN-UHFFFAOYSA-N
XLogP4.81
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 90745141) is 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is CC=C=CC1C2Cc3ccc(O)cc3C1(CC)CCN2Cc1ccco1.
What is the InChIKey of 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is FYPDFGFTCFOQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-5-8-20-22-14-17-9-10-18(25)15-21(17)23(20,4-2)11-12-24(22)16-19-7-6-13-26-19/h3,6-10,13,15,20,22,25H,4,11-12,14,16H2,1-2H3.
What are the key properties of 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 349.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-buta-1,2-dienyl-1-ethyl-10-(furan-2-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 90745141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).