(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one

C10H19NO — CID 170253196

IUPAC(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one
SMILESCCC1([C@@H]([C@H](C(=O)N1)C)C)CC
InChIInChI=1S/C10H19NO/c1-5-10(6-2)8(4)7(3)9(12)11-10/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyCGOHKFJAJWUFDJ-HTQZYQBOSA-N
MW169.26 g/mol
LogP2.30
Rot. Bonds2

About (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one

(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one (PubChem CID 170253196) has the molecular formula C10H19NO and a molecular weight of 169.26 g/mol. Its IUPAC name is (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one
PubChem CID170253196
Molecular FormulaC10H19NO
Molecular Weight169.26 g/mol
Exact Mass169.15
IUPAC Name(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one
SMILESCCC1([C@@H]([C@H](C(=O)N1)C)C)CC
InChIInChI=1S/C10H19NO/c1-5-10(6-2)8(4)7(3)9(12)11-10/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyCGOHKFJAJWUFDJ-HTQZYQBOSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity184

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.26
LogP ≤ 52.30
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
3,5,5-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-Bromoethyl)-5,5-dimethylpyrrolidin-2-one
CID 137699022
3-(2-Amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
CID 140916776
3-(2-Aminoethyl)-5,5-dimethylpyrrolidin-2-one hydrochloride
CID 137965775

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one (CID 170253196) is (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one is CCC1([C@@H]([C@H](C(=O)N1)C)C)CC.
What is the InChIKey of (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one?
The InChIKey is CGOHKFJAJWUFDJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(6-2)8(4)7(3)9(12)11-10/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one?
(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one has a molecular weight of 169.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 170253196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).