1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one

C11H16N2O — CID 57054539

IUPAC1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC#CN1CCCC1
InChIInChI=1S/C11H16N2O/c14-11-5-3-9-13(11)10-4-8-12-6-1-2-7-12/h1-3,5-7,9-10H2
InChIKeyWQJXLKRKCNNKEX-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.67
Rot. Bonds1

About 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one

1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one (PubChem CID 57054539) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one
PubChem CID57054539
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC#CN1CCCC1
InChIInChI=1S/C11H16N2O/c14-11-5-3-9-13(11)10-4-8-12-6-1-2-7-12/h1-3,5-7,9-10H2
InChIKeyWQJXLKRKCNNKEX-UHFFFAOYSA-N
XLogP0.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.67
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

Oxotremorine
CID 4630
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
Oxotremorine methiodide
CID 3027782
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230
Succinimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
CID 199231
2-Pyrrolidinone, 5-methyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, (+-)-
CID 3055365
1,4-Dipyrrolidinylbutane-1,4-dione
CID 1521741
2-Pyrrolidinone, 1-(4-(1-azetidinyl)-2-butynyl)-
CID 156578
1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
CID 15065508
1-(5-Pyrrolidin-1-ylpent-3-yn-2-yl)pyrrolidine-2,5-dione
CID 44330936
2-Pyrrolidinone, 5-methyl-1-[4-(1-pyrrolidinyl)-2-butynyl]-, (R)-
CID 3062680
(5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 3062682

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one (CID 57054539) is 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one is O=C1CCCN1CC#CN1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one?
The InChIKey is WQJXLKRKCNNKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-5-3-9-13(11)10-4-8-12-6-1-2-7-12/h1-3,5-7,9-10H2.
What are the key properties of 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one?
1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylprop-2-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 57054539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).