4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one

C11H10N2O2 — CID 123412789

IUPAC4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=CO)c1=Cc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-7-10-9(11(15)13-12-10)6-8-4-2-1-3-5-8/h1-7,12,14H,(H,13,15)
InChIKeyTWEZJYNHPUFLTK-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.17
Rot. Bonds1

About 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one

4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one (PubChem CID 123412789) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
PubChem CID123412789
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=CO)c1=Cc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-7-10-9(11(15)13-12-10)6-8-4-2-1-3-5-8/h1-7,12,14H,(H,13,15)
InChIKeyTWEZJYNHPUFLTK-UHFFFAOYSA-N
XLogP-0.17
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzylidene-4-(1H-pyrrol-2-ylmethylidene)pyrazolidin-3-one
CID 91428278
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione
CID 143386386
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
3-(4-benzylidene-5-oxopyrazolidin-3-ylidene)-1-ethylquinoline-2,4-dione
CID 1270494
3-[[4-(aminomethyl)phenyl]methylidene]-6-benzylidenepiperazine-2,5-dione
CID 67601413
9,10-dibenzylidenephenanthrene
CID 135051601
4-benzylidenepyrazolidine-3,5-dione
CID 68539282
5-benzylidene-1-hydroxyimidazolidin-2-one
CID 69304075
5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 90956193
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
(7E)-7-benzylidene-1-(2-hydroxyethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione
CID 6177645

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one?
The IUPAC name of 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one (CID 123412789) is 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one.
What is the SMILES notation for 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one?
The canonical SMILES for 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one is O=c1[nH][nH]c(=CO)c1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one?
The InChIKey is TWEZJYNHPUFLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-7-10-9(11(15)13-12-10)6-8-4-2-1-3-5-8/h1-7,12,14H,(H,13,15).
What are the key properties of 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one?
4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one has a molecular weight of 202.21 g/mol, XLogP of -0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one is sourced from PubChem (CID 123412789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).