5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one

C15H13N3O — CID 91428278

IUPAC5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=Cc2ccccc2)c1=Cc1ccc[nH]1
InChIInChI=1S/C15H13N3O/c19-15-13(10-12-7-4-8-16-12)14(17-18-15)9-11-5-2-1-3-6-11/h1-10,16-17H,(H,18,19)
InChIKeyHFTSJHZPBBOFCC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds2

About 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one

5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one (PubChem CID 91428278) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
PubChem CID91428278
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=Cc2ccccc2)c1=Cc1ccc[nH]1
InChIInChI=1S/C15H13N3O/c19-15-13(10-12-7-4-8-16-12)14(17-18-15)9-11-5-2-1-3-6-11/h1-10,16-17H,(H,18,19)
InChIKeyHFTSJHZPBBOFCC-UHFFFAOYSA-N
XLogP0.69
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
CID 123412789
5-[(4-methylphenoxy)methylidene]-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
CID 90868064
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
(3E,6E)-3-benzylidene-6-[(E)-but-2-enylidene]piperazine-2,5-dione
CID 54610923
(3E,6E)-3-benzylidene-6-but-2-enylidenepiperazine-2,5-dione
CID 5359203
3-[[4-(aminomethyl)phenyl]methylidene]-6-benzylidenepiperazine-2,5-dione
CID 67601413
N-phenyl-1-(1H-pyrrol-2-yl)methanimine
CID 139135949
methanamine;1H-pyrrole-2-carbaldehyde
CID 172737516
4-benzylidenepyrazolidine-3,5-dione
CID 68539282

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The IUPAC name of 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one (CID 91428278) is 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one.
What is the SMILES notation for 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The canonical SMILES for 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one is O=c1[nH][nH]c(=Cc2ccccc2)c1=Cc1ccc[nH]1.
What is the InChIKey of 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
The InChIKey is HFTSJHZPBBOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-13(10-12-7-4-8-16-12)14(17-18-15)9-11-5-2-1-3-6-11/h1-10,16-17H,(H,18,19).
What are the key properties of 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one?
5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one is sourced from PubChem (CID 91428278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).