(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine

C13H21N — CID 88571618

IUPAC(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine
SMILESC/C=C\C=C/C=C/CN1CC[C@@H](C)C1
InChIInChI=1S/C13H21N/c1-3-4-5-6-7-8-10-14-11-9-13(2)12-14/h3-8,13H,9-12H2,1-2H3/b4-3-,6-5-,8-7+/t13-/m1/s1
InChIKeySZAIEQRTMNABIQ-ZZLHSNQQSA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds4

About (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine

(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine (PubChem CID 88571618) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine
PubChem CID88571618
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine
SMILESC/C=C\C=C/C=C/CN1CC[C@@H](C)C1
InChIInChI=1S/C13H21N/c1-3-4-5-6-7-8-10-14-11-9-13(2)12-14/h3-8,13H,9-12H2,1-2H3/b4-3-,6-5-,8-7+/t13-/m1/s1
InChIKeySZAIEQRTMNABIQ-ZZLHSNQQSA-N
XLogP3.02
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 ≤ 53.02
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 (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine?
The IUPAC name of (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine (CID 88571618) is (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine.
What is the SMILES notation for (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine?
The canonical SMILES for (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine is C/C=C\C=C/C=C/CN1CC[C@@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine?
The InChIKey is SZAIEQRTMNABIQ-ZZLHSNQQSA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-5-6-7-8-10-14-11-9-13(2)12-14/h3-8,13H,9-12H2,1-2H3/b4-3-,6-5-,8-7+/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine?
(3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]pyrrolidine is sourced from PubChem (CID 88571618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).