1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine

C10H17NO — CID 90053641

IUPAC1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine
SMILESC=C(/C=C/CN1CCCC1)OC
InChIInChI=1S/C10H17NO/c1-10(12-2)6-5-9-11-7-3-4-8-11/h5-6H,1,3-4,7-9H2,2H3/b6-5+
InChIKeyHMGBIZXMKMAXQZ-AATRIKPKSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds4

About 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine

1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine (PubChem CID 90053641) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine
PubChem CID90053641
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine
SMILESC=C(/C=C/CN1CCCC1)OC
InChIInChI=1S/C10H17NO/c1-10(12-2)6-5-9-11-7-3-4-8-11/h5-6H,1,3-4,7-9H2,2H3/b6-5+
InChIKeyHMGBIZXMKMAXQZ-AATRIKPKSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine (CID 90053641) is 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine is C=C(/C=C/CN1CCCC1)OC.
What is the InChIKey of 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine?
The InChIKey is HMGBIZXMKMAXQZ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(12-2)6-5-9-11-7-3-4-8-11/h5-6H,1,3-4,7-9H2,2H3/b6-5+.
What are the key properties of 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine?
1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-4-methoxypenta-2,4-dienyl]pyrrolidine is sourced from PubChem (CID 90053641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).