1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine

C21H33NO — CID 155808430

IUPAC1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCC1
InChIInChI=1S/C21H33NO/c1-19(10-6-12-21-13-17-23-18-21)8-5-9-20(2)11-7-16-22-14-3-4-15-22/h9-10,13,17-18H,3-8,11-12,14-16H2,1-2H3/b19-10+,20-9+
InChIKeyADBUKNUICSNFMT-HURGCPBHSA-N
MW315.50 g/mol
LogP5.76
Rot. Bonds10

About 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine

1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine (PubChem CID 155808430) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine
PubChem CID155808430
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCC1
InChIInChI=1S/C21H33NO/c1-19(10-6-12-21-13-17-23-18-21)8-5-9-20(2)11-7-16-22-14-3-4-15-22/h9-10,13,17-18H,3-8,11-12,14-16H2,1-2H3/b19-10+,20-9+
InChIKeyADBUKNUICSNFMT-HURGCPBHSA-N
XLogP5.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine?
The IUPAC name of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine (CID 155808430) is 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine?
The canonical SMILES for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine is C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCCC1.
What is the InChIKey of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine?
The InChIKey is ADBUKNUICSNFMT-HURGCPBHSA-N. The full InChI is InChI=1S/C21H33NO/c1-19(10-6-12-21-13-17-23-18-21)8-5-9-20(2)11-7-16-22-14-3-4-15-22/h9-10,13,17-18H,3-8,11-12,14-16H2,1-2H3/b19-10+,20-9+.
What are the key properties of 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine?
1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine has a molecular weight of 315.50 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]pyrrolidine is sourced from PubChem (CID 155808430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).