1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol

C9H17NO — CID 134212531

IUPAC1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol
SMILESC=C(C)C1CCCN1C(C)O
InChIInChI=1S/C9H17NO/c1-7(2)9-5-4-6-10(9)8(3)11/h8-9,11H,1,4-6H2,2-3H3
InChIKeyYOEXHTJRZGTIRD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.37
Rot. Bonds2

About 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol

1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 134212531) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol
PubChem CID134212531
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol
SMILESC=C(C)C1CCCN1C(C)O
InChIInChI=1S/C9H17NO/c1-7(2)9-5-4-6-10(9)8(3)11/h8-9,11H,1,4-6H2,2-3H3
InChIKeyYOEXHTJRZGTIRD-UHFFFAOYSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol (CID 134212531) is 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol is C=C(C)C1CCCN1C(C)O.
What is the InChIKey of 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is YOEXHTJRZGTIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9-5-4-6-10(9)8(3)11/h8-9,11H,1,4-6H2,2-3H3.
What are the key properties of 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol?
1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 134212531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).