1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane

C14H27NO — CID 167597515

IUPAC1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane
SMILESC=C1CCC(=O)N1C(C)(C)C.CC(C)(C)C
InChIInChI=1S/C9H15NO.C5H12/c1-7-5-6-8(11)10(7)9(2,3)4;1-5(2,3)4/h1,5-6H2,2-4H3;1-4H3
InChIKeyJGYIHOCXEMSSPZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.97
Rot. Bonds

About 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane

1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane (PubChem CID 167597515) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane.

Molecular Properties

Compound Name1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane
PubChem CID167597515
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane
SMILESC=C1CCC(=O)N1C(C)(C)C.CC(C)(C)C
InChIInChI=1S/C9H15NO.C5H12/c1-7-5-6-8(11)10(7)9(2,3)4;1-5(2,3)4/h1,5-6H2,2-4H3;1-4H3
InChIKeyJGYIHOCXEMSSPZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane?
The IUPAC name of 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane (CID 167597515) is 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane.
What is the SMILES notation for 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane?
The canonical SMILES for 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane is C=C1CCC(=O)N1C(C)(C)C.CC(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane?
The InChIKey is JGYIHOCXEMSSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C5H12/c1-7-5-6-8(11)10(7)9(2,3)4;1-5(2,3)4/h1,5-6H2,2-4H3;1-4H3.
What are the key properties of 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane?
1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane has a molecular weight of 225.38 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methylidenepyrrolidin-2-one;2,2-dimethylpropane is sourced from PubChem (CID 167597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).