1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one

C11H16N2O — CID 14756510

IUPAC1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC#C[C@@H]1CCCN1
InChIInChI=1S/C11H16N2O/c14-11-6-3-9-13(11)8-2-5-10-4-1-7-12-10/h10,12H,1,3-4,6-9H2/t10-/m0/s1
InChIKeySGYLORZQPXZDQP-JTQLQIEISA-N
MW192.26 g/mol
LogP0.36
Rot. Bonds1

About 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one

1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one (PubChem CID 14756510) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one
PubChem CID14756510
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC#C[C@@H]1CCCN1
InChIInChI=1S/C11H16N2O/c14-11-6-3-9-13(11)8-2-5-10-4-1-7-12-10/h10,12H,1,3-4,6-9H2/t10-/m0/s1
InChIKeySGYLORZQPXZDQP-JTQLQIEISA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2R)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
CID 67920538
1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 23179439
1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
CID 130600593
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 54863360
1-[4-(butan-2-ylamino)but-2-ynyl]pyrrolidin-2-one
CID 21390529
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[3-[3-(aminomethyl)phenyl]prop-2-ynyl]pyrrolidin-2-one
CID 122242114
1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one
CID 102380748
1-[4-(1-methylpyrrolidin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one iodide
CID 45266323
1-prop-2-ynylazocan-2-one
CID 61344680
1-[3-[(2R)-2-[dimethyl(2-methylpropyl)silyl]oxypyrrolidin-1-yl]prop-2-ynyl]pyrrolidin-2-one
CID 67920532
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one (CID 14756510) is 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one is O=C1CCCN1CC#C[C@@H]1CCCN1.
What is the InChIKey of 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one?
The InChIKey is SGYLORZQPXZDQP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-6-3-9-13(11)8-2-5-10-4-1-7-12-10/h10,12H,1,3-4,6-9H2/t10-/m0/s1.
What are the key properties of 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one?
1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 14756510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).