1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one

C13H20N2O — CID 21154032

IUPAC1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C#CCN1CCCC1)N1CCCC1=O
InChIInChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1
InChIKeyLVKGEHAPRFNGNI-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.10
Rot. Bonds2

About 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one

1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one (PubChem CID 21154032) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
PubChem CID21154032
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C#CCN1CCCC1)N1CCCC1=O
InChIInChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1
InChIKeyLVKGEHAPRFNGNI-LBPRGKRZSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one (CID 21154032) is 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one is C[C@@H](C#CCN1CCCC1)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one?
The InChIKey is LVKGEHAPRFNGNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one?
1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 21154032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).