1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C13H22N2O2 — CID 111116377

IUPAC1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESC=CCN(CC=C)CC(O)CN1CCCC1=O
InChIInChI=1S/C13H22N2O2/c1-3-7-14(8-4-2)10-12(16)11-15-9-5-6-13(15)17/h3-4,12,16H,1-2,5-11H2
InChIKeyWPFVKXAGJYGANA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.64
Rot. Bonds8

About 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116377) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116377
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESC=CCN(CC=C)CC(O)CN1CCCC1=O
InChIInChI=1S/C13H22N2O2/c1-3-7-14(8-4-2)10-12(16)11-15-9-5-6-13(15)17/h3-4,12,16H,1-2,5-11H2
InChIKeyWPFVKXAGJYGANA-UHFFFAOYSA-N
XLogP0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.64
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 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116377) is 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is C=CCN(CC=C)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is WPFVKXAGJYGANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-14(8-4-2)10-12(16)11-15-9-5-6-13(15)17/h3-4,12,16H,1-2,5-11H2.
What are the key properties of 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).