3,4-diethylpyrrolidin-2-one

C8H15NO — CID 21354352

IUPAC3,4-diethylpyrrolidin-2-one
SMILESCCC1CNC(=O)C1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-9-8(10)7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyVCTFZFKNGXNHII-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.17
Rot. Bonds2

About 3,4-diethylpyrrolidin-2-one

3,4-diethylpyrrolidin-2-one (PubChem CID 21354352) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,4-diethylpyrrolidin-2-one.

Molecular Properties

Compound Name3,4-diethylpyrrolidin-2-one
PubChem CID21354352
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,4-diethylpyrrolidin-2-one
SMILESCCC1CNC(=O)C1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-9-8(10)7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyVCTFZFKNGXNHII-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Diethyl-2-pyrrolidinone
CID 9793807
3-Ethyl-2-pyrrolidinone
CID 18442682
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
3-Methyl-3-(propan-2-YL)pyrrolidin-2-one
CID 10558714
3-Ethyl-3-isopropylpyrrolidin-2-one
CID 10606999
Valeramide, N-isobutyl-2-propyl-
CID 211202
5-(Propan-2-yl)pyrrolidin-2-one
CID 13082302
3,4-Dimethylpyrrolidin-2-one
CID 13297684

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylpyrrolidin-2-one?
The IUPAC name of 3,4-diethylpyrrolidin-2-one (CID 21354352) is 3,4-diethylpyrrolidin-2-one.
What is the SMILES notation for 3,4-diethylpyrrolidin-2-one?
The canonical SMILES for 3,4-diethylpyrrolidin-2-one is CCC1CNC(=O)C1CC.
What is the InChIKey of 3,4-diethylpyrrolidin-2-one?
The InChIKey is VCTFZFKNGXNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-5-9-8(10)7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3,4-diethylpyrrolidin-2-one?
3,4-diethylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylpyrrolidin-2-one is sourced from PubChem (CID 21354352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).