1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one

C18H25NO — CID 70116287

IUPAC1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16.C6H9NO/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-5-3-4-6(7)8/h5-9H,1H2,2-4H3;2H,1,3-5H2
InChIKeyRFHOHYGGMJVLQJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.38
Rot. Bonds2

About 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one

1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one (PubChem CID 70116287) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one
PubChem CID70116287
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16.C6H9NO/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-5-3-4-6(7)8/h5-9H,1H2,2-4H3;2H,1,3-5H2
InChIKeyRFHOHYGGMJVLQJ-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one (CID 70116287) is 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one is C=CN1CCCC1=O.C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one?
The InChIKey is RFHOHYGGMJVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C6H9NO/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-5-3-4-6(7)8/h5-9H,1H2,2-4H3;2H,1,3-5H2.
What are the key properties of 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one?
1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one has a molecular weight of 271.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenylbenzene;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 70116287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).