4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one

C11H16N2O — CID 168500194

IUPAC4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N([C@@H]2CCCNC2)C1
InChIInChI=1S/C11H16N2O/c1-2-9-6-11(14)13(8-9)10-4-3-5-12-7-10/h1,9-10,12H,3-8H2/t9?,10-/m1/s1
InChIKeyKPURDNQUSVXLGD-QVDQXJPCSA-N
MW192.26 g/mol
LogP0.22
Rot. Bonds1

About 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one

4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one (PubChem CID 168500194) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
PubChem CID168500194
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N([C@@H]2CCCNC2)C1
InChIInChI=1S/C11H16N2O/c1-2-9-6-11(14)13(8-9)10-4-3-5-12-7-10/h1,9-10,12H,3-8H2/t9?,10-/m1/s1
InChIKeyKPURDNQUSVXLGD-QVDQXJPCSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500126
4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
CID 168503518
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657
S-(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl) ethanethioate
CID 168704521
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168500448
1-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethynylpyrrolidin-2-one
CID 168500321
(3R)-3-ethynylpiperidine
CID 86307646
1-(azepan-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655718
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 162422983
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one (CID 168500194) is 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one is C#CC1CC(=O)N([C@@H]2CCCNC2)C1.
What is the InChIKey of 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is KPURDNQUSVXLGD-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9-6-11(14)13(8-9)10-4-3-5-12-7-10/h1,9-10,12H,3-8H2/t9?,10-/m1/s1.
What are the key properties of 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168500194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).