1-ethyl-2,4,4-trimethylpyrrolidin-3-one

C9H17NO — CID 130031773

IUPAC1-ethyl-2,4,4-trimethylpyrrolidin-3-one
SMILESCCN1CC(C)(C)C(=O)C1C
InChIInChI=1S/C9H17NO/c1-5-10-6-9(3,4)8(11)7(10)2/h7H,5-6H2,1-4H3
InChIKeyFYZDSKNCBOINGU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds1

About 1-ethyl-2,4,4-trimethylpyrrolidin-3-one

1-ethyl-2,4,4-trimethylpyrrolidin-3-one (PubChem CID 130031773) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-2,4,4-trimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-ethyl-2,4,4-trimethylpyrrolidin-3-one
PubChem CID130031773
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-ethyl-2,4,4-trimethylpyrrolidin-3-one
SMILESCCN1CC(C)(C)C(=O)C1C
InChIInChI=1S/C9H17NO/c1-5-10-6-9(3,4)8(11)7(10)2/h7H,5-6H2,1-4H3
InChIKeyFYZDSKNCBOINGU-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-1-(pyrrolidin-1-yl)pentan-3-one
CID 3057976
1,5,5-Trimethylpyrrolidin-3-one
CID 21025953
2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
2-(3-Fluoropyrrolidin-1-yl)-4-methylpentan-3-one
CID 91003469
(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-one
CID 144037828
3,3-Dimethyl-1-pyrrolidin-1-ylbutan-2-one
CID 418354
1,2,2-Trimethylpyrrolidin-3-one
CID 12761486
1-(3,3-Dimethyl-butyl)-pyrrolidin-3-one
CID 18768940
4-[Tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one
CID 20603980
3-Methyl-3-(2,3,4-trimethylpyrrolidin-1-yl)butan-2-one
CID 20698780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,4-trimethylpyrrolidin-3-one?
The IUPAC name of 1-ethyl-2,4,4-trimethylpyrrolidin-3-one (CID 130031773) is 1-ethyl-2,4,4-trimethylpyrrolidin-3-one.
What is the SMILES notation for 1-ethyl-2,4,4-trimethylpyrrolidin-3-one?
The canonical SMILES for 1-ethyl-2,4,4-trimethylpyrrolidin-3-one is CCN1CC(C)(C)C(=O)C1C.
What is the InChIKey of 1-ethyl-2,4,4-trimethylpyrrolidin-3-one?
The InChIKey is FYZDSKNCBOINGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-6-9(3,4)8(11)7(10)2/h7H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-2,4,4-trimethylpyrrolidin-3-one?
1-ethyl-2,4,4-trimethylpyrrolidin-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,4-trimethylpyrrolidin-3-one is sourced from PubChem (CID 130031773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).