2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol

C11H19NO — CID 101415661

IUPAC2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol
SMILESC/C=C/C=C/[C@H]1CCCN1CCO
InChIInChI=1S/C11H19NO/c1-2-3-4-6-11-7-5-8-12(11)9-10-13/h2-4,6,11,13H,5,7-10H2,1H3/b3-2+,6-4+/t11-/m0/s1
InChIKeyVHZIZULULVRFEU-KCLDPONSSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol

2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol (PubChem CID 101415661) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol
PubChem CID101415661
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol
SMILESC/C=C/C=C/[C@H]1CCCN1CCO
InChIInChI=1S/C11H19NO/c1-2-3-4-6-11-7-5-8-12(11)9-10-13/h2-4,6,11,13H,5,7-10H2,1H3/b3-2+,6-4+/t11-/m0/s1
InChIKeyVHZIZULULVRFEU-KCLDPONSSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[Cyclohexyl(cyclopent-2-en-1-yl)amino]ethanol
CID 222026
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 15480743
(R)-3-Hydroxy-1-(N-methylpyrrolidin-2-yl)propene
CID 53698862
1-Methyl-5-prop-1-enylpyrrolidin-3-ol
CID 59936382
3-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
2-(2,3,3a,7a-Tetrahydroindol-1-yl)ethanol
CID 70526785
2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride
CID 70544463
2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol
CID 70544464
2-[Methyl(octa-4,6-dienyl)amino]ethanol
CID 87095726
1-[ethyl-[(5E)-octa-5,7-dienyl]amino]ethanol
CID 87095804
2-[Ethyl(octa-5,7-dienyl)amino]ethanol
CID 87095805

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol (CID 101415661) is 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol is C/C=C/C=C/[C@H]1CCCN1CCO.
What is the InChIKey of 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol?
The InChIKey is VHZIZULULVRFEU-KCLDPONSSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-6-11-7-5-8-12(11)9-10-13/h2-4,6,11,13H,5,7-10H2,1H3/b3-2+,6-4+/t11-/m0/s1.
What are the key properties of 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol?
2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(1E,3E)-penta-1,3-dienyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 101415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).