(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one

C11H15NO — CID 134872444

IUPAC(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
SMILESC#C[C@H]1CCC(=O)N1CCCC=C
InChIInChI=1S/C11H15NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h2-3,10H,1,5-9H2/t10-/m0/s1
InChIKeyMBQBIJAEXMLRKR-JTQLQIEISA-N
MW177.25 g/mol
LogP1.58
Rot. Bonds4

About (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one

(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one (PubChem CID 134872444) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
PubChem CID134872444
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
SMILESC#C[C@H]1CCC(=O)N1CCCC=C
InChIInChI=1S/C11H15NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h2-3,10H,1,5-9H2/t10-/m0/s1
InChIKeyMBQBIJAEXMLRKR-JTQLQIEISA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one
CID 10830736
1-cyclopropyl-3-pent-4-enylimidazol-2-one
CID 116625373
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
CID 167175811
1-undec-10-enylpiperidin-2-one
CID 23295884
(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
CID 11286664
(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one
CID 102021469
(5S)-5-[2-(prop-2-enylamino)ethyl]-1-(3-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 42436394
1-butyl-5-tert-butylpyrrolidin-2-one
CID 139951377
1-but-3-enylpiperidin-2-one
CID 14225189
1-(2-ethynyl-5-oxopyrrolidin-1-yl)ethenyl acetate
CID 15629524
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169161

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one (CID 134872444) is (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one is C#C[C@H]1CCC(=O)N1CCCC=C.
What is the InChIKey of (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is MBQBIJAEXMLRKR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-6-9-12-10(4-2)7-8-11(12)13/h2-3,10H,1,5-9H2/t10-/m0/s1.
What are the key properties of (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 134872444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).