4-ethyl-1-methylpyrrolidin-2-one

C7H13NO — CID 18780175

IUPAC4-ethyl-1-methylpyrrolidin-2-one
SMILESCCC1CC(=O)N(C)C1
InChIInChI=1S/C7H13NO/c1-3-6-4-7(9)8(2)5-6/h6H,3-5H2,1-2H3
InChIKeyRHGSQUDKMGXXHE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds1

About 4-ethyl-1-methylpyrrolidin-2-one

4-ethyl-1-methylpyrrolidin-2-one (PubChem CID 18780175) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-methylpyrrolidin-2-one
PubChem CID18780175
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-ethyl-1-methylpyrrolidin-2-one
SMILESCCC1CC(=O)N(C)C1
InChIInChI=1S/C7H13NO/c1-3-6-4-7(9)8(2)5-6/h6H,3-5H2,1-2H3
InChIKeyRHGSQUDKMGXXHE-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethylpyrrolidin-2-one
CID 101194
1,3-Dimethylpyrrolidin-2-one
CID 209257
3-Ethyl-2-pyrrolidinone
CID 18442682
1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine
CID 444570
1-Isobutylpyrrolidin-2-one
CID 3772287
4-Ethyl-2-pyrrolidinone
CID 10866300
US10214537, Example 161
CID 86201975
Valproyl-2-pyrrolidinone
CID 129151
1-Ethyl-5-methyl-2-pyrrolidinone
CID 11976433
1-Isobutyl-4-(1-pyrrolidinylcarbonyl)piperidine
CID 883948
(3R)-3-ethylpyrrolidin-2-one
CID 641536
1-Ethyl-4-methylpyrrolidin-2-one
CID 10796755

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-methylpyrrolidin-2-one (CID 18780175) is 4-ethyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-methylpyrrolidin-2-one is CCC1CC(=O)N(C)C1.
What is the InChIKey of 4-ethyl-1-methylpyrrolidin-2-one?
The InChIKey is RHGSQUDKMGXXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-4-7(9)8(2)5-6/h6H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1-methylpyrrolidin-2-one?
4-ethyl-1-methylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 18780175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).