(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one

C13H11NO2 — CID 11830779

IUPAC(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one
SMILESO=C(/C=C1/CC(=O)N1)/C=C/c1ccccc1
InChIInChI=1S/C13H11NO2/c15-12(8-11-9-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)/b7-6+,11-8-
InChIKeyLNFJSFZSPBDAPU-VEQVDCDKSA-N
MW213.24 g/mol
LogP1.67
Rot. Bonds3

About (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one

(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one (PubChem CID 11830779) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one
PubChem CID11830779
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one
SMILESO=C(/C=C1/CC(=O)N1)/C=C/c1ccccc1
InChIInChI=1S/C13H11NO2/c15-12(8-11-9-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)/b7-6+,11-8-
InChIKeyLNFJSFZSPBDAPU-VEQVDCDKSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(E)-1-(1,3-dithietan-2-ylidene)-4-phenylbut-3-en-2-one
CID 46859110
2-amino-4-(2-oxo-4-phenylbut-3-enylidene)-1H-imidazol-5-one
CID 135498276
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
(1E,4Z,6E)-5-hydroxy-1,7-diphenylhepta-1,4,6-trien-3-one
CID 6474898
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one?
The IUPAC name of (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one (CID 11830779) is (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one.
What is the SMILES notation for (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one?
The canonical SMILES for (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one is O=C(/C=C1/CC(=O)N1)/C=C/c1ccccc1.
What is the InChIKey of (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one?
The InChIKey is LNFJSFZSPBDAPU-VEQVDCDKSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12(8-11-9-13(16)14-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)/b7-6+,11-8-.
What are the key properties of (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one?
(4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one has a molecular weight of 213.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(E)-2-oxo-4-phenylbut-3-enylidene]azetidin-2-one is sourced from PubChem (CID 11830779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).