(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone

C15H19NO3 — CID 103727180

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-19-13-6-4-12(5-7-13)14(17)16-9-8-15(2,18)11-16/h3-7,18H,1,8-11H2,2H3
InChIKeyQLOQYTBIWSGZKJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds4

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone (PubChem CID 103727180) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
PubChem CID103727180
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-19-13-6-4-12(5-7-13)14(17)16-9-8-15(2,18)11-16/h3-7,18H,1,8-11H2,2H3
InChIKeyQLOQYTBIWSGZKJ-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone (CID 103727180) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)N2CCC(C)(O)C2)cc1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The InChIKey is QLOQYTBIWSGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-10-19-13-6-4-12(5-7-13)14(17)16-9-8-15(2,18)11-16/h3-7,18H,1,8-11H2,2H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 103727180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).