5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one

C11H17NO2 — CID 23359507

IUPAC5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CC(CO)NC1=O
InChIInChI=1S/C11H17NO2/c1-3-5-11(6-4-2)7-9(8-13)12-10(11)14/h3-4,9,13H,1-2,5-8H2,(H,12,14)
InChIKeyIIEQQIZPYNJADG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.01
Rot. Bonds5

About 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one

5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one (PubChem CID 23359507) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
PubChem CID23359507
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CC(CO)NC1=O
InChIInChI=1S/C11H17NO2/c1-3-5-11(6-4-2)7-9(8-13)12-10(11)14/h3-4,9,13H,1-2,5-8H2,(H,12,14)
InChIKeyIIEQQIZPYNJADG-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
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 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one (CID 23359507) is 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one is C=CCC1(CC=C)CC(CO)NC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The InChIKey is IIEQQIZPYNJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-11(6-4-2)7-9(8-13)12-10(11)14/h3-4,9,13H,1-2,5-8H2,(H,12,14).
What are the key properties of 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 23359507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).