1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine

C13H21N — CID 89211431

IUPAC1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine
SMILESC/C=C\C=C(C)/C=C/CN1CCCC1
InChIInChI=1S/C13H21N/c1-3-4-8-13(2)9-7-12-14-10-5-6-11-14/h3-4,7-9H,5-6,10-12H2,1-2H3/b4-3-,9-7+,13-8-
InChIKeyXHPXVWPOSKYYRX-IBRCYQEOSA-N
MW191.32 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine

1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine (PubChem CID 89211431) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine
PubChem CID89211431
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine
SMILESC/C=C\C=C(C)/C=C/CN1CCCC1
InChIInChI=1S/C13H21N/c1-3-4-8-13(2)9-7-12-14-10-5-6-11-14/h3-4,7-9H,5-6,10-12H2,1-2H3/b4-3-,9-7+,13-8-
InChIKeyXHPXVWPOSKYYRX-IBRCYQEOSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine?
The IUPAC name of 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine (CID 89211431) is 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine?
The canonical SMILES for 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine is C/C=C\C=C(C)/C=C/CN1CCCC1.
What is the InChIKey of 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine?
The InChIKey is XHPXVWPOSKYYRX-IBRCYQEOSA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-8-13(2)9-7-12-14-10-5-6-11-14/h3-4,7-9H,5-6,10-12H2,1-2H3/b4-3-,9-7+,13-8-.
What are the key properties of 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine?
1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine is sourced from PubChem (CID 89211431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).