1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one

C15H27NO — CID 59547384

IUPAC1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one
SMILESC=CC(C)(C)C1(C)C(=O)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C15H27NO/c1-10-12(2,3)15(8)11(17)16(9)14(6,7)13(15,4)5/h10H,1H2,2-9H3
InChIKeyPPQRRUPNISBNRY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.48
Rot. Bonds2

About 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one

1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one (PubChem CID 59547384) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one
PubChem CID59547384
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one
SMILESC=CC(C)(C)C1(C)C(=O)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C15H27NO/c1-10-12(2,3)15(8)11(17)16(9)14(6,7)13(15,4)5/h10H,1H2,2-9H3
InChIKeyPPQRRUPNISBNRY-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one?
The IUPAC name of 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one (CID 59547384) is 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one is C=CC(C)(C)C1(C)C(=O)N(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one?
The InChIKey is PPQRRUPNISBNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-12(2,3)15(8)11(17)16(9)14(6,7)13(15,4)5/h10H,1H2,2-9H3.
What are the key properties of 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one?
1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5,5-hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 59547384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).