5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one

C9H17NO — CID 66107845

IUPAC5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)NC1(C)C
InChIInChI=1S/C9H17NO/c1-6(2)7-5-8(11)10-9(7,3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyXFNVGRDIOUMCKD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.56
Rot. Bonds1

About 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one

5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 66107845) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID66107845
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)NC1(C)C
InChIInChI=1S/C9H17NO/c1-6(2)7-5-8(11)10-9(7,3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyXFNVGRDIOUMCKD-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-
CID 69708
5,5-Dimethylpyrrolidin-2-one
CID 11126210
3-Ethyl-4-methylpyrrolidine-2,5-dione
CID 20033949
3,5,5-Trimethylpyrrolidin-2-one
CID 247984
4,5,5-Trimethyl-2-pyrrolidinone
CID 12560813
N-(tert-butyl)cyclopentanecarboxamide
CID 4524458
Valeramide, N-tert-butyl-2-propyl-
CID 200809
2-Cyclohexyl-2-methyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201514
2-Cyclohexyl-2-ethyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201515
2-Pyrrolidinone, 5-cyclohexyl-5-propyl-
CID 201516
3-(2-Amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
CID 140916776
a-Methyl-a-ethyl succinimide
CID 18442688

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one (CID 66107845) is 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)NC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is XFNVGRDIOUMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)7-5-8(11)10-9(7,3)4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one?
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66107845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).