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

C₉H₁₇NO — CID 134212531

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 Name: 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol
• PubChem CID: 134212531
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24 g/mol
• Exact Mass: 155.13
• IUPAC Name: 1-(2-prop-1-en-2-ylpyrrolidin-1-yl)ethanol
• SMILES: C=C(C)C1CCCN1C(C)O
• InChI: InChI=1S/C9H17NO/c1-7(2)9-5-4-6-10(9)8(3)11/h8-9,11H,1,4-6H2,2-3H3
• InChIKey: YOEXHTJRZGTIRD-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.24
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 134212531 — identifiers, structure, computed properties (public domain)

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