1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone

C11H19N3O2 — CID 23384662

IUPAC1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone
SMILESC#CONC(C)C1C(N)CC(C(C)=O)N1C
InChIInChI=1S/C11H19N3O2/c1-5-16-13-7(2)11-9(12)6-10(8(3)15)14(11)4/h1,7,9-11,13H,6,12H2,2-4H3
InChIKeyKPVRIHLWJHFXSF-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.52
Rot. Bonds4

About 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone

1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 23384662) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone
PubChem CID23384662
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone
SMILESC#CONC(C)C1C(N)CC(C(C)=O)N1C
InChIInChI=1S/C11H19N3O2/c1-5-16-13-7(2)11-9(12)6-10(8(3)15)14(11)4/h1,7,9-11,13H,6,12H2,2-4H3
InChIKeyKPVRIHLWJHFXSF-UHFFFAOYSA-N
XLogP-0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,5R)-5-acetyl-2-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-3-yl]ethanone
CID 59911103
(2R,4R,5R)-4-acetyl-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
CID 59911178
1-[(2R,4R)-5-(1-aminoethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
CID 59910988
1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366301
(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
CID 59911440
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
[1-[(2R,3R,5R)-5-acetyl-3-(1-ethoxyethoxymethyl)-1-methylpyrrolidin-2-yl]-2-hydroxyethyl]azanide;actinium
CID 59910969
1-[(2R,3S,5R)-5-acetyl-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]-1-amino-3-(1-ethoxyethoxy)propan-2-one
CID 158624697
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate
CID 83847972
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
1-[(2R,4S)-5-[1-amino-3-(1-ethoxyethoxy)-2-hydroxy-2-methylpropyl]-1-methyl-4-[(Z)-prop-1-enyl]pyrrolidin-2-yl]ethanone
CID 59911183

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone (CID 23384662) is 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone is C#CONC(C)C1C(N)CC(C(C)=O)N1C.
What is the InChIKey of 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is KPVRIHLWJHFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-13-7(2)11-9(12)6-10(8(3)15)14(11)4/h1,7,9-11,13H,6,12H2,2-4H3.
What are the key properties of 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone?
1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 225.29 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-[1-(ethynoxyamino)ethyl]-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 23384662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).