5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one

C10H19NO — CID 58733449

IUPAC5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1CCC(=O)N1CC(C)C
InChIInChI=1S/C10H19NO/c1-4-9-5-6-10(12)11(9)7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyFJNVFVTWRYSQJW-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds3

About 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one

5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 58733449) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID58733449
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1CCC(=O)N1CC(C)C
InChIInChI=1S/C10H19NO/c1-4-9-5-6-10(12)11(9)7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyFJNVFVTWRYSQJW-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-bis(2-methylpropyl)pyrrolidin-2-one
CID 139951379
(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 15737590
5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 21312227
2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
CID 68841358
1-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 59752136
(5R)-5-ethyl-1-(methylamino)pyrrolidin-2-one
CID 163460023
5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45250614
5-ethyl-1-phenylpyrrolidin-2-one
CID 14142559
2-ethyl-5-oxopyrrolidine-1-carboxylic acid
CID 170340373
1-ethyl-6-methyl-5-propan-2-ylpiperidin-2-one
CID 130280330
(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
CID 39221101
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one (CID 58733449) is 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one is CCC1CCC(=O)N1CC(C)C.
What is the InChIKey of 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is FJNVFVTWRYSQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9-5-6-10(12)11(9)7-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one?
5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 58733449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).