2-(1-prop-2-enylpyrrolidin-2-yl)ethanol

C9H17NO — CID 117028490

IUPAC2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
SMILESC=CCN1CCCC1CCO
InChIInChI=1S/C9H17NO/c1-2-6-10-7-3-4-9(10)5-8-11/h2,9,11H,1,3-8H2
InChIKeyOJEBLFJXOZOXPG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds4

About 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol

2-(1-prop-2-enylpyrrolidin-2-yl)ethanol (PubChem CID 117028490) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
PubChem CID117028490
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
SMILESC=CCN1CCCC1CCO
InChIInChI=1S/C9H17NO/c1-2-6-10-7-3-4-9(10)5-8-11/h2,9,11H,1,3-8H2
InChIKeyOJEBLFJXOZOXPG-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
CID 63388670
(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
CID 61371898
2-(1-hept-6-enylpiperidin-2-yl)ethanol
CID 107010082
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
CID 114448957

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol?
The IUPAC name of 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol (CID 117028490) is 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol is C=CCN1CCCC1CCO.
What is the InChIKey of 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol?
The InChIKey is OJEBLFJXOZOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-10-7-3-4-9(10)5-8-11/h2,9,11H,1,3-8H2.
What are the key properties of 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol?
2-(1-prop-2-enylpyrrolidin-2-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 117028490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).