1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one

C13H20N2O — CID 71460014

IUPAC1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC#CC[C@H]1CCCCN1
InChIInChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
InChIKeyMCBPVVDYNHLGEL-GFCCVEGCSA-N
MW220.32 g/mol
LogP1.14
Rot. Bonds2

About 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one

1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one (PubChem CID 71460014) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one
PubChem CID71460014
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC#CC[C@H]1CCCCN1
InChIInChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
InChIKeyMCBPVVDYNHLGEL-GFCCVEGCSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one (CID 71460014) is 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one is O=C1CCCN1CC#CC[C@H]1CCCCN1.
What is the InChIKey of 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one?
The InChIKey is MCBPVVDYNHLGEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1.
What are the key properties of 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one?
1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-piperidin-2-yl]but-2-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 71460014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).