(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

C16H11BrN2O2 — CID 6146053

IUPAC(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Br
InChIInChI=1S/C16H11BrN2O2/c17-14-9-5-4-6-11(14)10-13-15(20)18-19(16(13)21)12-7-2-1-3-8-12/h1-10H,(H,18,20)/b13-10-
InChIKeyGTVSWCWCTVXPQK-RAXLEYEMSA-N
MW343.18 g/mol
LogP2.91
Rot. Bonds2

About (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 6146053) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID6146053
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Br
InChIInChI=1S/C16H11BrN2O2/c17-14-9-5-4-6-11(14)10-13-15(20)18-19(16(13)21)12-7-2-1-3-8-12/h1-10H,(H,18,20)/b13-10-
InChIKeyGTVSWCWCTVXPQK-RAXLEYEMSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(2-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2251098
4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2853414
(4Z)-4-[(2-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 689331
1-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]pyrazolidine-3,5-dione
CID 3097787
(4Z)-4-[[2-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126403261
(4E)-4-[(2,4-dihydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2248253
[2-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] benzoate
CID 6180451
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 686465
1-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 5096115
4-[(3-bromo-5-chloro-2-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 3521081
(4E)-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6510632
2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 954211

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (CID 6146053) is (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Br.
What is the InChIKey of (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is GTVSWCWCTVXPQK-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-14-9-5-4-6-11(14)10-13-15(20)18-19(16(13)21)12-7-2-1-3-8-12/h1-10H,(H,18,20)/b13-10-.
What are the key properties of (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 343.18 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 6146053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).