3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one

C9H17NO — CID 59280236

IUPAC3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC1CC(C)N(C(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-6(2)10-8(4)5-7(3)9(10)11/h6-8H,5H2,1-4H3
InChIKeySIILTOMKSPVTNR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one

3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59280236) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID59280236
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC1CC(C)N(C(C)C)C1=O
InChIInChI=1S/C9H17NO/c1-6(2)10-8(4)5-7(3)9(10)11/h6-8H,5H2,1-4H3
InChIKeySIILTOMKSPVTNR-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
CID 129157172
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
5-methyl-1-propan-2-ylimidazolidin-2-one
CID 166718631
1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
CID 173210555
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882407
ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
CID 178164464
1-amino-3,5-dimethylpiperidine-2,6-dione
CID 122522116
2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 139516912
5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
CID 59298741
3-benzyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883140

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one (CID 59280236) is 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one is CC1CC(C)N(C(C)C)C1=O.
What is the InChIKey of 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is SIILTOMKSPVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)10-8(4)5-7(3)9(10)11/h6-8H,5H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one?
3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).