3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine

C14H23NO — CID 143977008

IUPAC3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine
SMILESC=C/C=C(\C=C)COCCCC1CCNC1
InChIInChI=1S/C14H23NO/c1-3-6-13(4-2)12-16-10-5-7-14-8-9-15-11-14/h3-4,6,14-15H,1-2,5,7-12H2/b13-6+
InChIKeyTUENJBYBQJWGDB-AWNIVKPZSA-N
MW221.34 g/mol
LogP2.69
Rot. Bonds8

About 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine

3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine (PubChem CID 143977008) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine
PubChem CID143977008
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine
SMILESC=C/C=C(\C=C)COCCCC1CCNC1
InChIInChI=1S/C14H23NO/c1-3-6-13(4-2)12-16-10-5-7-14-8-9-15-11-14/h3-4,6,14-15H,1-2,5,7-12H2/b13-6+
InChIKeyTUENJBYBQJWGDB-AWNIVKPZSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine?
The IUPAC name of 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine (CID 143977008) is 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine.
What is the SMILES notation for 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine?
The canonical SMILES for 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine is C=C/C=C(\C=C)COCCCC1CCNC1.
What is the InChIKey of 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine?
The InChIKey is TUENJBYBQJWGDB-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-6-13(4-2)12-16-10-5-7-14-8-9-15-11-14/h3-4,6,14-15H,1-2,5,7-12H2/b13-6+.
What are the key properties of 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine?
3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]propyl]pyrrolidine is sourced from PubChem (CID 143977008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).