5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one

C11H21NO — CID 66108073

IUPAC5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)C1CC(=O)NC1(C)C
InChIInChI=1S/C11H21NO/c1-5-8(6-2)9-7-10(13)12-11(9,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyRWLVPLFFTNLUQT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds3

About 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one

5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one (PubChem CID 66108073) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one
PubChem CID66108073
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)C1CC(=O)NC1(C)C
InChIInChI=1S/C11H21NO/c1-5-8(6-2)9-7-10(13)12-11(9,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyRWLVPLFFTNLUQT-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one (CID 66108073) is 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one is CCC(CC)C1CC(=O)NC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one?
The InChIKey is RWLVPLFFTNLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-8(6-2)9-7-10(13)12-11(9,3)4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one?
5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 66108073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).