1-(4-ethylpyrrolidin-2-yl)propan-1-one

C9H17NO — CID 176934348

IUPAC1-(4-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(CC)CN1
InChIInChI=1S/C9H17NO/c1-3-7-5-8(10-6-7)9(11)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyRSDRHPHJWHFZMK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds3

About 1-(4-ethylpyrrolidin-2-yl)propan-1-one

1-(4-ethylpyrrolidin-2-yl)propan-1-one (PubChem CID 176934348) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(4-ethylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpyrrolidin-2-yl)propan-1-one
PubChem CID176934348
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(4-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(CC)CN1
InChIInChI=1S/C9H17NO/c1-3-7-5-8(10-6-7)9(11)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyRSDRHPHJWHFZMK-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-ethylpyrrolidine-2-carboxamide
CID 130681578
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone
CID 160982260
1-(4-ethyl-2-propanoylcyclopentyl)propan-1-one
CID 70888817
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
4-ethyl-2-methylpyrrolidine
CID 23313713
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
CID 59908097
ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 131844507
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpyrrolidin-2-yl)propan-1-one (CID 176934348) is 1-(4-ethylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpyrrolidin-2-yl)propan-1-one is CCC(=O)C1CC(CC)CN1.
What is the InChIKey of 1-(4-ethylpyrrolidin-2-yl)propan-1-one?
The InChIKey is RSDRHPHJWHFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-7-5-8(10-6-7)9(11)4-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(4-ethylpyrrolidin-2-yl)propan-1-one?
1-(4-ethylpyrrolidin-2-yl)propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 176934348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).