5-(2-methylbutan-2-yl)pyrrolidin-2-one

C9H17NO — CID 15256363

IUPAC5-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(C)C1CCC(=O)N1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)7-5-6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyXBWURIYCJXBHHR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds2

About 5-(2-methylbutan-2-yl)pyrrolidin-2-one

5-(2-methylbutan-2-yl)pyrrolidin-2-one (PubChem CID 15256363) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)pyrrolidin-2-one
PubChem CID15256363
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(C)C1CCC(=O)N1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)7-5-6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyXBWURIYCJXBHHR-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-(2-methylbutan-2-yl)pyrrolidin-2-one (CID 15256363) is 5-(2-methylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-methylbutan-2-yl)pyrrolidin-2-one is CCC(C)(C)C1CCC(=O)N1.
What is the InChIKey of 5-(2-methylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is XBWURIYCJXBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(2,3)7-5-6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 5-(2-methylbutan-2-yl)pyrrolidin-2-one?
5-(2-methylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 15256363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).