(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine

C14H25NO — CID 142933399

IUPAC(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCNC1.C=C(/C=C\CC)OC
InChIInChI=1S/C7H13N.C7H12O/c1-2-3-7-4-5-8-6-7;1-4-5-6-7(2)8-3/h2-3,7-8H,4-6H2,1H3;5-6H,2,4H2,1,3H3/b3-2+;6-5-
InChIKeyORAZJYIUEPXIKO-AUJFFYEYSA-N
MW223.36 g/mol
LogP3.28
Rot. Bonds4

About (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine

(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 142933399) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine
PubChem CID142933399
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCNC1.C=C(/C=C\CC)OC
InChIInChI=1S/C7H13N.C7H12O/c1-2-3-7-4-5-8-6-7;1-4-5-6-7(2)8-3/h2-3,7-8H,4-6H2,1H3;5-6H,2,4H2,1,3H3/b3-2+;6-5-
InChIKeyORAZJYIUEPXIKO-AUJFFYEYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine (CID 142933399) is (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1CCNC1.C=C(/C=C\CC)OC.
What is the InChIKey of (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is ORAZJYIUEPXIKO-AUJFFYEYSA-N. The full InChI is InChI=1S/C7H13N.C7H12O/c1-2-3-7-4-5-8-6-7;1-4-5-6-7(2)8-3/h2-3,7-8H,4-6H2,1H3;5-6H,2,4H2,1,3H3/b3-2+;6-5-.
What are the key properties of (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine?
(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 142933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).