1,3-ditert-butyl-5-methylidenepyrrolidin-2-one

C13H23NO — CID 59096680

IUPAC1,3-ditert-butyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C13H23NO/c1-9-8-10(12(2,3)4)11(15)14(9)13(5,6)7/h10H,1,8H2,2-7H3
InChIKeyGMOFYDDYQGJZEU-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.19
Rot. Bonds

About 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one

1,3-ditert-butyl-5-methylidenepyrrolidin-2-one (PubChem CID 59096680) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,3-ditert-butyl-5-methylidenepyrrolidin-2-one
PubChem CID59096680
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1,3-ditert-butyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C13H23NO/c1-9-8-10(12(2,3)4)11(15)14(9)13(5,6)7/h10H,1,8H2,2-7H3
InChIKeyGMOFYDDYQGJZEU-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one (CID 59096680) is 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one is C=C1CC(C(C)(C)C)C(=O)N1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one?
The InChIKey is GMOFYDDYQGJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-8-10(12(2,3)4)11(15)14(9)13(5,6)7/h10H,1,8H2,2-7H3.
What are the key properties of 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one?
1,3-ditert-butyl-5-methylidenepyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 59096680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).