1,3-diethylpyrrolidin-2-one

C8H15NO — CID 58939186

IUPAC1,3-diethylpyrrolidin-2-one
SMILESCCC1CCN(CC)C1=O
InChIInChI=1S/C8H15NO/c1-3-7-5-6-9(4-2)8(7)10/h7H,3-6H2,1-2H3
InChIKeyZCBQRUIWOOEFCB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds2

About 1,3-diethylpyrrolidin-2-one

1,3-diethylpyrrolidin-2-one (PubChem CID 58939186) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,3-diethylpyrrolidin-2-one.

Molecular Properties

Compound Name1,3-diethylpyrrolidin-2-one
PubChem CID58939186
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,3-diethylpyrrolidin-2-one
SMILESCCC1CCN(CC)C1=O
InChIInChI=1S/C8H15NO/c1-3-7-5-6-9(4-2)8(7)10/h7H,3-6H2,1-2H3
InChIKeyZCBQRUIWOOEFCB-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pyrrolidinone, 1-butyl-
CID 18984
1,3-Dimethylpyrrolidin-2-one
CID 209257
3-Ethyl-2-pyrrolidinone
CID 18442682
1-Isobutylpyrrolidin-2-one
CID 3772287
2-Pyrrolidinone, 1-hexyl-
CID 78555
2-Methylpropanoyl pyrrolidine
CID 5143352
1-(3-Methylbutyl)pyrrolidine
CID 108876
US10214537, Example 161
CID 86201975
Valproyl-2-pyrrolidinone
CID 129151
Cambridge id 6579802
CID 883948
1-Ethyl-4-methylpyrrolidin-2-one
CID 10796755
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrrolidin-2-one?
The IUPAC name of 1,3-diethylpyrrolidin-2-one (CID 58939186) is 1,3-diethylpyrrolidin-2-one.
What is the SMILES notation for 1,3-diethylpyrrolidin-2-one?
The canonical SMILES for 1,3-diethylpyrrolidin-2-one is CCC1CCN(CC)C1=O.
What is the InChIKey of 1,3-diethylpyrrolidin-2-one?
The InChIKey is ZCBQRUIWOOEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-5-6-9(4-2)8(7)10/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-diethylpyrrolidin-2-one?
1,3-diethylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrrolidin-2-one is sourced from PubChem (CID 58939186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).