1-(1-phenylprop-2-ynyl)pyrrolidin-2-one

C13H13NO — CID 15014551

IUPAC1-(1-phenylprop-2-ynyl)pyrrolidin-2-one
SMILESC#CC(c1ccccc1)N1CCCC1=O
InChIInChI=1S/C13H13NO/c1-2-12(11-7-4-3-5-8-11)14-10-6-9-13(14)15/h1,3-5,7-8,12H,6,9-10H2
InChIKeyMKXYIKUHWWRLLH-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.98
Rot. Bonds2

About 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one

1-(1-phenylprop-2-ynyl)pyrrolidin-2-one (PubChem CID 15014551) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-phenylprop-2-ynyl)pyrrolidin-2-one
PubChem CID15014551
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-(1-phenylprop-2-ynyl)pyrrolidin-2-one
SMILESC#CC(c1ccccc1)N1CCCC1=O
InChIInChI=1S/C13H13NO/c1-2-12(11-7-4-3-5-8-11)14-10-6-9-13(14)15/h1,3-5,7-8,12H,6,9-10H2
InChIKeyMKXYIKUHWWRLLH-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
CID 69084296
1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
CID 123241673
1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530475
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530474
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626
1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530470
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-benzhydrylpyrrolidin-2-imine
CID 43167156
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one (CID 15014551) is 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one is C#CC(c1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one?
The InChIKey is MKXYIKUHWWRLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-12(11-7-4-3-5-8-11)14-10-6-9-13(14)15/h1,3-5,7-8,12H,6,9-10H2.
What are the key properties of 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one?
1-(1-phenylprop-2-ynyl)pyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylprop-2-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 15014551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).