4,5-diethylpyrrolidin-2-one

C8H15NO — CID 66107645

IUPAC4,5-diethylpyrrolidin-2-one
SMILESCCC1CC(=O)NC1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySEJKFCISRFMHID-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds2

About 4,5-diethylpyrrolidin-2-one

4,5-diethylpyrrolidin-2-one (PubChem CID 66107645) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-diethylpyrrolidin-2-one.

Molecular Properties

Compound Name4,5-diethylpyrrolidin-2-one
PubChem CID66107645
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-diethylpyrrolidin-2-one
SMILESCCC1CC(=O)NC1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySEJKFCISRFMHID-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one
CID 106676548
5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one
CID 114058152
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
5-ethyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 82837252
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
CID 58071883
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
5-[(2-ethylcyclopentyl)amino]piperidin-2-one
CID 115720358
(4S)-4-propylazetidin-2-one
CID 18603540
(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
CID 131124388
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940

Frequently Asked Questions

What is the IUPAC name of 4,5-diethylpyrrolidin-2-one?
The IUPAC name of 4,5-diethylpyrrolidin-2-one (CID 66107645) is 4,5-diethylpyrrolidin-2-one.
What is the SMILES notation for 4,5-diethylpyrrolidin-2-one?
The canonical SMILES for 4,5-diethylpyrrolidin-2-one is CCC1CC(=O)NC1CC.
What is the InChIKey of 4,5-diethylpyrrolidin-2-one?
The InChIKey is SEJKFCISRFMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4,5-diethylpyrrolidin-2-one?
4,5-diethylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethylpyrrolidin-2-one is sourced from PubChem (CID 66107645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).