1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine

C12H19N — CID 88571561

IUPAC1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine
SMILESC=C/C=C(\C=C/C)CN1CCCC1
InChIInChI=1S/C12H19N/c1-3-7-12(8-4-2)11-13-9-5-6-10-13/h3-4,7-8H,1,5-6,9-11H2,2H3/b8-4-,12-7+
InChIKeyJWOOCOXOAAXAEZ-OPVKSPCESA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds4

About 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine

1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine (PubChem CID 88571561) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine
PubChem CID88571561
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine
SMILESC=C/C=C(\C=C/C)CN1CCCC1
InChIInChI=1S/C12H19N/c1-3-7-12(8-4-2)11-13-9-5-6-10-13/h3-4,7-8H,1,5-6,9-11H2,2H3/b8-4-,12-7+
InChIKeyJWOOCOXOAAXAEZ-OPVKSPCESA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine (CID 88571561) is 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine is C=C/C=C(\C=C/C)CN1CCCC1.
What is the InChIKey of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine?
The InChIKey is JWOOCOXOAAXAEZ-OPVKSPCESA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-12(8-4-2)11-13-9-5-6-10-13/h3-4,7-8H,1,5-6,9-11H2,2H3/b8-4-,12-7+.
What are the key properties of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine?
1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine is sourced from PubChem (CID 88571561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).