1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine

C9H15N — CID 134886956

IUPAC1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine
SMILESC/C=C/C=C/N1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+
InChIKeyCJESOEGXYMGWNW-AOGGBPEJSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

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

1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine (PubChem CID 134886956) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine
PubChem CID134886956
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine
SMILESC/C=C/C=C/N1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+
InChIKeyCJESOEGXYMGWNW-AOGGBPEJSA-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

Pyrrolidine, 1-(1-butenyl)-
CID 5357122
((z)-1-Propenyl)-pyrrolidine
CID 643803
Pyrrolidine, 1-propenyl-
CID 638322
1-Buta-1,3-dienyl-pyrrolidine
CID 5371320
1-[(1Z)-buta-1,3-dienyl]pyrrolidine
CID 134863379
1-But-1-enylpyrrolidine
CID 139649
1-Propenyl-pyrrolidine
CID 574069
Pyrrolidine, 1-(1,3-butadienyl)-
CID 579581
n-Butylpyridine
CID 17938176
Butyl 1h azepine
CID 68327561
1-butyl-4-pyrrolidin-1-yl-2H-pyridine
CID 132276186
1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine
CID 134850510

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine?
The IUPAC name of 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine (CID 134886956) is 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine?
The canonical SMILES for 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine is C/C=C/C=C/N1CCCC1.
What is the InChIKey of 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine?
The InChIKey is CJESOEGXYMGWNW-AOGGBPEJSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+.
What are the key properties of 1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine?
1-[(1E,3E)-penta-1,3-dienyl]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-[(1E,3E)-penta-1,3-dienyl]pyrrolidine is sourced from PubChem (CID 134886956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).