1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine

C9H15N — CID 87862300

IUPAC1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine
SMILESC=C/C(=C\C)N1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyPXHKLBOPXWUHIW-RUDMXATFSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

About 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine

1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine (PubChem CID 87862300) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine
PubChem CID87862300
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine
SMILESC=C/C(=C\C)N1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyPXHKLBOPXWUHIW-RUDMXATFSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-en-2-yl]pyrrolidine
CID 12571419
1-(But-2-en-2-yl)pyrrolidine
CID 68009843
1-butyl-4-pyrrolidin-1-yl-2H-pyridine
CID 132276186
1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine
CID 134850510
1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine
CID 134886956
1-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-2-methylpyrrolidine
CID 130392713
1-[(3E)-4-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142421995
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3-methylpyrrolidine
CID 142422467
1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]pyrrolidine
CID 156099662
N-pentyl-4-pyrrolidinopyridine
CID 132277510
1-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]pyrrolidine
CID 145564519
(3S)-1-[(3E)-5-fluoropenta-1,3-dien-2-yl]-3-methylpyrrolidine
CID 171516682

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine?
The IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine (CID 87862300) is 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine?
The canonical SMILES for 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine is C=C/C(=C\C)N1CCCC1.
What is the InChIKey of 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine?
The InChIKey is PXHKLBOPXWUHIW-RUDMXATFSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h3-4H,1,5-8H2,2H3/b9-4+.
What are the key properties of 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine?
1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-penta-1,3-dien-3-yl]pyrrolidine is sourced from PubChem (CID 87862300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).