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

C11H15NO — CID 10725992

IUPAC(5S)-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-/m1/s1
InChIKeyMBQBIJAEXMLRKR-SNVBAGLBSA-N
MW177.25 g/mol
LogP1.58
Rot. Bonds4

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

(5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one (PubChem CID 10725992) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
PubChem CID10725992
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(5S)-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-/m1/s1
InChIKeyMBQBIJAEXMLRKR-SNVBAGLBSA-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

1-(Pyrrolidin-1-yl)hex-5-en-1-one
CID 168267356
methyl 3-[(2S)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]prop-2-ynoate
CID 10609800
(5S)-1-pent-4-enyl-5-prop-1-ynylpyrrolidin-2-one
CID 10750240
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
CID 14942504
1-But-2-ynyl-3,5-bis(ethenyl)pyrrolidin-2-one
CID 85945184
5-Ethenyl-1-hex-5-enylpyrrolidin-2-one
CID 121012339
5-Ethenyl-1-pent-4-enylpyrrolidin-2-one
CID 121220896
(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
CID 134872444
methyl 3-[(2R)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]prop-2-ynoate
CID 134918869
3,5-Bis(ethenyl)-1-prop-2-ynylpyrrolidin-2-one
CID 135081039
(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one
CID 10015692

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one (CID 10725992) is (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one is C#C[C@@H]1CCC(=O)N1CCCC=C.
What is the InChIKey of (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is MBQBIJAEXMLRKR-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one?
(5S)-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 (5S)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 10725992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).