(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine

C13H19N — CID 101415670

IUPAC(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine
SMILESC/C=C/C=C/[C@]12C=C(C)CN1CCC2
InChIInChI=1S/C13H19N/c1-3-4-5-7-13-8-6-9-14(13)11-12(2)10-13/h3-5,7,10H,6,8-9,11H2,1-2H3/b4-3+,7-5+/t13-/m0/s1
InChIKeyQYCNOURVRCILEE-YNIWWTEDSA-N
MW189.30 g/mol
LogP2.91
Rot. Bonds2

About (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine

(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine (PubChem CID 101415670) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine
PubChem CID101415670
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine
SMILESC/C=C/C=C/[C@]12C=C(C)CN1CCC2
InChIInChI=1S/C13H19N/c1-3-4-5-7-13-8-6-9-14(13)11-12(2)10-13/h3-5,7,10H,6,8-9,11H2,1-2H3/b4-3+,7-5+/t13-/m0/s1
InChIKeyQYCNOURVRCILEE-YNIWWTEDSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 166984319
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
2-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172287917
(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172288637
Pyrrolidine, 1-[2-(1,3-cyclopentadien-1-yl)ethyl]-
CID 558409
(3R,8R)-6-methyl-3-[(1E,3E)-penta-1,3-dienyl]-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 101415671
(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine
CID 20682524
2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-ene
CID 57643266
8-[(Z)-2-iodobut-1-enyl]-6,7-dimethyl-1,2,3,5-tetrahydropyrrolizine
CID 58196047
6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine
CID 58196087
8-(2-Iodobut-1-enyl)-6,7-dimethyl-1,2,3,5-tetrahydropyrrolizine
CID 76721655
(2S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrrolidine
CID 88277069

Frequently Asked Questions

What is the IUPAC name of (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine (CID 101415670) is (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine is C/C=C/C=C/[C@]12C=C(C)CN1CCC2.
What is the InChIKey of (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is QYCNOURVRCILEE-YNIWWTEDSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-5-7-13-8-6-9-14(13)11-12(2)10-13/h3-5,7,10H,6,8-9,11H2,1-2H3/b4-3+,7-5+/t13-/m0/s1.
What are the key properties of (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine?
(8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 189.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-methyl-8-[(1E,3E)-penta-1,3-dienyl]-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 101415670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).