1-hexa-1,5-dien-3-ylpyrrolidine

C10H17N — CID 15812378

IUPAC1-hexa-1,5-dien-3-ylpyrrolidine
SMILESC=CCC(C=C)N1CCCC1
InChIInChI=1S/C10H17N/c1-3-7-10(4-2)11-8-5-6-9-11/h3-4,10H,1-2,5-9H2
InChIKeyIJGIQAJNDGVIAH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds4

About 1-hexa-1,5-dien-3-ylpyrrolidine

1-hexa-1,5-dien-3-ylpyrrolidine (PubChem CID 15812378) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-hexa-1,5-dien-3-ylpyrrolidine.

Molecular Properties

Compound Name1-hexa-1,5-dien-3-ylpyrrolidine
PubChem CID15812378
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-hexa-1,5-dien-3-ylpyrrolidine
SMILESC=CCC(C=C)N1CCCC1
InChIInChI=1S/C10H17N/c1-3-7-10(4-2)11-8-5-6-9-11/h3-4,10H,1-2,5-9H2
InChIKeyIJGIQAJNDGVIAH-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Butenyl)pyrrolidine
CID 250707
1-(4-Pentenyl)pyrrolidine
CID 558404
Pyrrolidine, 2-methylene-1-(2-propenyl)-(9CI)
CID 21677163
2-Allyl-1-ethylpyrrolidine
CID 11829524
1-Hept-1-en-4-ylpyrrolidine
CID 12749033
(2S)-1-methyl-2-prop-2-enylpyrrolidine
CID 45087250
1-But-3-en-2-ylpyrrolidine
CID 57120204
Diallylpyrrolidine
CID 67695091
Divinyl pyrrolidine
CID 121376496
allyl N-butylpyrrolidine
CID 129724238
1-(4,4-Difluorohexa-1,5-dien-3-yl)pyrrolidine
CID 155372748
2-Ethenyl-1-ethyl-4-fluoropyrrolidine
CID 156099572

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,5-dien-3-ylpyrrolidine?
The IUPAC name of 1-hexa-1,5-dien-3-ylpyrrolidine (CID 15812378) is 1-hexa-1,5-dien-3-ylpyrrolidine.
What is the SMILES notation for 1-hexa-1,5-dien-3-ylpyrrolidine?
The canonical SMILES for 1-hexa-1,5-dien-3-ylpyrrolidine is C=CCC(C=C)N1CCCC1.
What is the InChIKey of 1-hexa-1,5-dien-3-ylpyrrolidine?
The InChIKey is IJGIQAJNDGVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-7-10(4-2)11-8-5-6-9-11/h3-4,10H,1-2,5-9H2.
What are the key properties of 1-hexa-1,5-dien-3-ylpyrrolidine?
1-hexa-1,5-dien-3-ylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,5-dien-3-ylpyrrolidine is sourced from PubChem (CID 15812378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).