1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone

C11H18N2O — CID 15629539

IUPAC1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C#CCN(C)C
InChIInChI=1S/C11H18N2O/c1-10(14)13-9-5-7-11(13)6-4-8-12(2)3/h11H,5,7-9H2,1-3H3/t11-/m0/s1
InChIKeyCPIUMVHVTRAEHA-NSHDSACASA-N
MW194.28 g/mol
LogP0.56
Rot. Bonds1

About 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone (PubChem CID 15629539) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone
PubChem CID15629539
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C#CCN(C)C
InChIInChI=1S/C11H18N2O/c1-10(14)13-9-5-7-11(13)6-4-8-12(2)3/h11H,5,7-9H2,1-3H3/t11-/m0/s1
InChIKeyCPIUMVHVTRAEHA-NSHDSACASA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
CID 55005
Oxotremorine 1
CID 19716
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, (+-)-
CID 3055062
2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
CID 3088972
N-Ethyl-N,N-dimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
CID 3086903
Pca 10
CID 147030
1-[2-(3-Pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502714
1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502715
Trimethyl-[4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-ynyl]azanium
CID 3088973
1-[5-(Dimethylamino)pent-3-yn-2-yl]pyrrolidin-2-one
CID 12222506
2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
CID 14025460
N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
CID 14025465

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone (CID 15629539) is 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C#CCN(C)C.
What is the InChIKey of 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone?
The InChIKey is CPIUMVHVTRAEHA-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(14)13-9-5-7-11(13)6-4-8-12(2)3/h11H,5,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone has a molecular weight of 194.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 15629539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).