4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one

C9H15NO2 — CID 153281030

IUPAC4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(CCO)CC1=O
InChIInChI=1S/C9H15NO2/c1-2-4-10-7-8(3-5-11)6-9(10)12/h2,8,11H,1,3-7H2
InChIKeyWXDBHRXYHKVSTA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.40
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one

4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 153281030) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID153281030
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(CCO)CC1=O
InChIInChI=1S/C9H15NO2/c1-2-4-10-7-8(3-5-11)6-9(10)12/h2,8,11H,1,3-7H2
InChIKeyWXDBHRXYHKVSTA-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.40
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 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one (CID 153281030) is 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1CC(CCO)CC1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is WXDBHRXYHKVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-4-10-7-8(3-5-11)6-9(10)12/h2,8,11H,1,3-7H2.
What are the key properties of 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one?
4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 153281030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).