3-hexa-1,3,5-trien-3-yloxypyrrolidine

C10H15NO — CID 123371130

IUPAC3-hexa-1,3,5-trien-3-yloxypyrrolidine
SMILESC=CC=C(C=C)OC1CCNC1
InChIInChI=1S/C10H15NO/c1-3-5-9(4-2)12-10-6-7-11-8-10/h3-5,10-11H,1-2,6-8H2
InChIKeyPMBMCXJRKWQMBN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds4

About 3-hexa-1,3,5-trien-3-yloxypyrrolidine

3-hexa-1,3,5-trien-3-yloxypyrrolidine (PubChem CID 123371130) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-hexa-1,3,5-trien-3-yloxypyrrolidine.

Molecular Properties

Compound Name3-hexa-1,3,5-trien-3-yloxypyrrolidine
PubChem CID123371130
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-hexa-1,3,5-trien-3-yloxypyrrolidine
SMILESC=CC=C(C=C)OC1CCNC1
InChIInChI=1S/C10H15NO/c1-3-5-9(4-2)12-10-6-7-11-8-10/h3-5,10-11H,1-2,6-8H2
InChIKeyPMBMCXJRKWQMBN-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(Prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 45075459
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 132398761
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191822
3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine
CID 144854899
3-Fluoro-4-(prop-2-en-1-yloxy)pyrrolidine
CID 168016825
(3R)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191819
3-(Prop-2-en-1-yloxy)pyrrolidine
CID 45075460
3-Buta-1,3-dien-2-yloxypyrrolidine
CID 123866298
(3R)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]pyrrolidine
CID 142028571
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypyrrolidine
CID 156375703
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-1-methylpyrrolidine
CID 177223337
3-[(E)-but-2-enoxy]pyrrolidine
CID 62328784

Frequently Asked Questions

What is the IUPAC name of 3-hexa-1,3,5-trien-3-yloxypyrrolidine?
The IUPAC name of 3-hexa-1,3,5-trien-3-yloxypyrrolidine (CID 123371130) is 3-hexa-1,3,5-trien-3-yloxypyrrolidine.
What is the SMILES notation for 3-hexa-1,3,5-trien-3-yloxypyrrolidine?
The canonical SMILES for 3-hexa-1,3,5-trien-3-yloxypyrrolidine is C=CC=C(C=C)OC1CCNC1.
What is the InChIKey of 3-hexa-1,3,5-trien-3-yloxypyrrolidine?
The InChIKey is PMBMCXJRKWQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-9(4-2)12-10-6-7-11-8-10/h3-5,10-11H,1-2,6-8H2.
What are the key properties of 3-hexa-1,3,5-trien-3-yloxypyrrolidine?
3-hexa-1,3,5-trien-3-yloxypyrrolidine has a molecular weight of 165.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexa-1,3,5-trien-3-yloxypyrrolidine is sourced from PubChem (CID 123371130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).