1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone

C10H16N2O2 — CID 103356013

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H16N2O2/c1-3-5-11-7-9(13)12-6-4-10(2,14)8-12/h1,11,14H,4-8H2,2H3
InChIKeyFSWNTKJAGUXPBZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.81
Rot. Bonds3

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 103356013) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID103356013
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H16N2O2/c1-3-5-11-7-9(13)12-6-4-10(2,14)8-12/h1,11,14H,4-8H2,2H3
InChIKeyFSWNTKJAGUXPBZ-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxy-3-methylpyrrolidin-1-yl)hept-6-yn-1-one
CID 103908950
4-ethyl-1-[2-(prop-2-ynylamino)acetyl]piperidine-4-carboxylic acid
CID 79272527
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide
CID 113249227
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
1-(2,2-dimethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79271799
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286675
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286950
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
CID 103355978

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone (CID 103356013) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is FSWNTKJAGUXPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-11-7-9(13)12-6-4-10(2,14)8-12/h1,11,14H,4-8H2,2H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 196.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 103356013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).