4-(4-phenylbut-3-ynyl)azetidin-2-one

C13H13NO — CID 10821857

IUPAC4-(4-phenylbut-3-ynyl)azetidin-2-one
SMILESO=C1CC(CCC#Cc2ccccc2)N1
InChIInChI=1S/C13H13NO/c15-13-10-12(14-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,5,9-10H2,(H,14,15)
InChIKeyWRMVKSJAWIGFEW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.71
Rot. Bonds2

About 4-(4-phenylbut-3-ynyl)azetidin-2-one

4-(4-phenylbut-3-ynyl)azetidin-2-one (PubChem CID 10821857) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(4-phenylbut-3-ynyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-phenylbut-3-ynyl)azetidin-2-one
PubChem CID10821857
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-(4-phenylbut-3-ynyl)azetidin-2-one
SMILESO=C1CC(CCC#Cc2ccccc2)N1
InChIInChI=1S/C13H13NO/c15-13-10-12(14-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,5,9-10H2,(H,14,15)
InChIKeyWRMVKSJAWIGFEW-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
(2R)-2-ethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 121277645
4-phenylbut-3-yne-1-thiol
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4-(3-phenylprop-2-ynyl)piperidine
CID 68977737
(5R)-5-[(E,3S)-3-hydroxy-4-methyl-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one
CID 141427034
(4S)-4-propylazetidin-2-one
CID 18603540
4-azidobut-1-ynylbenzene
CID 15806508
(3aS,6aS)-5-[[2-(2-phenylethynyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146046516
4-phenyl-1-(4-phenylbut-3-ynyl)piperidine
CID 18427959
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbut-3-ynyl)azetidin-2-one?
The IUPAC name of 4-(4-phenylbut-3-ynyl)azetidin-2-one (CID 10821857) is 4-(4-phenylbut-3-ynyl)azetidin-2-one.
What is the SMILES notation for 4-(4-phenylbut-3-ynyl)azetidin-2-one?
The canonical SMILES for 4-(4-phenylbut-3-ynyl)azetidin-2-one is O=C1CC(CCC#Cc2ccccc2)N1.
What is the InChIKey of 4-(4-phenylbut-3-ynyl)azetidin-2-one?
The InChIKey is WRMVKSJAWIGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-10-12(14-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,5,9-10H2,(H,14,15).
What are the key properties of 4-(4-phenylbut-3-ynyl)azetidin-2-one?
4-(4-phenylbut-3-ynyl)azetidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbut-3-ynyl)azetidin-2-one is sourced from PubChem (CID 10821857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).