2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one

C16H23NO — CID 118198098

IUPAC2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CCC1(CC=C)CC(=O)C(CC=C)(CC=C)N1
InChIInChI=1S/C16H23NO/c1-5-9-15(10-6-2)13-14(18)16(17-15,11-7-3)12-8-4/h5-8,17H,1-4,9-13H2
InChIKeyKLTSUDGMCFXIJP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.33
Rot. Bonds8

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

2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one (PubChem CID 118198098) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one
PubChem CID118198098
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CCC1(CC=C)CC(=O)C(CC=C)(CC=C)N1
InChIInChI=1S/C16H23NO/c1-5-9-15(10-6-2)13-14(18)16(17-15,11-7-3)12-8-4/h5-8,17H,1-4,9-13H2
InChIKeyKLTSUDGMCFXIJP-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.33
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 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one?
The IUPAC name of 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one (CID 118198098) is 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one.
What is the SMILES notation for 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one?
The canonical SMILES for 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one is C=CCC1(CC=C)CC(=O)C(CC=C)(CC=C)N1.
What is the InChIKey of 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one?
The InChIKey is KLTSUDGMCFXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-9-15(10-6-2)13-14(18)16(17-15,11-7-3)12-8-4/h5-8,17H,1-4,9-13H2.
What are the key properties of 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one?
2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one has a molecular weight of 245.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-one is sourced from PubChem (CID 118198098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).