1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone

C9H15NO3 — CID 166967438

IUPAC1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESC=C(O)C1CCCN1C(=O)COC
InChIInChI=1S/C9H15NO3/c1-7(11)8-4-3-5-10(8)9(12)6-13-2/h8,11H,1,3-6H2,2H3
InChIKeyJLZUEWJHRNACBO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone

1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 166967438) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID166967438
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESC=C(O)C1CCCN1C(=O)COC
InChIInChI=1S/C9H15NO3/c1-7(11)8-4-3-5-10(8)9(12)6-13-2/h8,11H,1,3-6H2,2H3
InChIKeyJLZUEWJHRNACBO-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone (CID 166967438) is 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone is C=C(O)C1CCCN1C(=O)COC.
What is the InChIKey of 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is JLZUEWJHRNACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)8-4-3-5-10(8)9(12)6-13-2/h8,11H,1,3-6H2,2H3.
What are the key properties of 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 185.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 166967438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).