1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine

C10H15N — CID 134850510

IUPAC1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine
SMILESC=C/C=C/C=C/N1CCCC1
InChIInChI=1S/C10H15N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5,8H,1,6-7,9-10H2/b4-3+,8-5+
InChIKeyFTPSZHDQGCCNET-SALQQRKASA-N
MW149.24 g/mol
LogP2.34
Rot. Bonds3

About 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine

1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine (PubChem CID 134850510) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine
PubChem CID134850510
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine
SMILESC=C/C=C/C=C/N1CCCC1
InChIInChI=1S/C10H15N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5,8H,1,6-7,9-10H2/b4-3+,8-5+
InChIKeyFTPSZHDQGCCNET-SALQQRKASA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.34
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

((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-Propenyl-pyrrolidine
CID 574069
Pyrrolidine, 1-(1,3-butadienyl)-
CID 579581
1-[(1E,3E)-penta-1,3-dienyl]pyrrolidine
CID 134886956
(2Z,4Z,6Z)-7-pyrrolidin-1-ylhepta-2,4,6-trienenitrile
CID 14086791
1-[(1E)-penta-1,4-dienyl]pyrrolidine
CID 13254195
1-pyrrolidin-1-yl-2H-pyridine
CID 18690330
1-Hexa-1,3-dienylpyrrolidine
CID 54358934
1-Penta-2,4-dienylpyrrolidine
CID 57130703

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine?
The IUPAC name of 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine (CID 134850510) is 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine?
The canonical SMILES for 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine is C=C/C=C/C=C/N1CCCC1.
What is the InChIKey of 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine?
The InChIKey is FTPSZHDQGCCNET-SALQQRKASA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5,8H,1,6-7,9-10H2/b4-3+,8-5+.
What are the key properties of 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine?
1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine has a molecular weight of 149.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-hexa-1,3,5-trienyl]pyrrolidine is sourced from PubChem (CID 134850510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).