1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone

C11H18N2O — CID 79286776

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCC1CC
InChIInChI=1S/C11H18N2O/c1-3-7-12-9-11(14)13-8-5-6-10(13)4-2/h1,10,12H,4-9H2,2H3
InChIKeyIRIUFKXTXAUNOE-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds4

About 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone

1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 79286776) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID79286776
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCC1CC
InChIInChI=1S/C11H18N2O/c1-3-7-12-9-11(14)13-8-5-6-10(13)4-2/h1,10,12H,4-9H2,2H3
InChIKeyIRIUFKXTXAUNOE-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 83053784
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005935
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286950
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone (CID 79286776) is 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCCC1CC.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is IRIUFKXTXAUNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-7-12-9-11(14)13-8-5-6-10(13)4-2/h1,10,12H,4-9H2,2H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 79286776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).