1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one

C11H17NO — CID 116570384

IUPAC1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)C1(CC)CCNC1
InChIInChI=1S/C11H17NO/c1-3-5-6-10(13)11(4-2)7-8-12-9-11/h1,12H,4-9H2,2H3
InChIKeyDYOKNWXKUOSUEQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.36
Rot. Bonds4

About 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one

1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one (PubChem CID 116570384) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
PubChem CID116570384
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)C1(CC)CCNC1
InChIInChI=1S/C11H17NO/c1-3-5-6-10(13)11(4-2)7-8-12-9-11/h1,12H,4-9H2,2H3
InChIKeyDYOKNWXKUOSUEQ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylpyrrolidin-3-yl)nonan-1-one
CID 116570178
1-(3-ethylpyrrolidin-3-yl)hex-5-en-1-one
CID 116570351
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
CID 116567943
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one (CID 116570384) is 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one is C#CCCC(=O)C1(CC)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one?
The InChIKey is DYOKNWXKUOSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-6-10(13)11(4-2)7-8-12-9-11/h1,12H,4-9H2,2H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one?
1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one is sourced from PubChem (CID 116570384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).