5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one

C10H15NO — CID 68605778

IUPAC5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one
SMILESC=C(C)C1(C(=C)C)CCC(=O)N1
InChIInChI=1S/C10H15NO/c1-7(2)10(8(3)4)6-5-9(12)11-10/h1,3,5-6H2,2,4H3,(H,11,12)
InChIKeySQWCLJINOHDFGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds2

About 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one

5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one (PubChem CID 68605778) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one
PubChem CID68605778
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one
SMILESC=C(C)C1(C(=C)C)CCC(=O)N1
InChIInChI=1S/C10H15NO/c1-7(2)10(8(3)4)6-5-9(12)11-10/h1,3,5-6H2,2,4H3,(H,11,12)
InChIKeySQWCLJINOHDFGD-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one?
The IUPAC name of 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one (CID 68605778) is 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one is C=C(C)C1(C(=C)C)CCC(=O)N1.
What is the InChIKey of 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one?
The InChIKey is SQWCLJINOHDFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(8(3)4)6-5-9(12)11-10/h1,3,5-6H2,2,4H3,(H,11,12).
What are the key properties of 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one?
5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-1-en-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 68605778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).