4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol

C24H25N3O3 — CID 3501561

IUPAC4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C24H25N3O3/c28-22-9-8-20(23(29)15-22)16-25-26-17-21-7-6-19(14-18-4-2-1-3-5-18)24(21)27-10-12-30-13-11-27/h1-5,8-9,14-17,28-29H,6-7,10-13H2
InChIKeyWKDVVUWZBKSCEU-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.97
Rot. Bonds5

About 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol

4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 3501561) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
PubChem CID3501561
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C24H25N3O3/c28-22-9-8-20(23(29)15-22)16-25-26-17-21-7-6-19(14-18-4-2-1-3-5-18)24(21)27-10-12-30-13-11-27/h1-5,8-9,14-17,28-29H,6-7,10-13H2
InChIKeyWKDVVUWZBKSCEU-UHFFFAOYSA-N
XLogP3.97
TPSA77.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 135684063
CID 135684063
CID 790984
CID 790984
CID 155556840
CID 155556840
CID 135603178
CID 135603178
CID 136934968
CID 136934968
CID 136934969
CID 136934969
CID 136934970
CID 136934970
CID 136934971
CID 136934971
CID 136934972
CID 136934972
CID 135676056
CID 135676056
CID 4284000
CID 4284000
CID 135894227
CID 135894227

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol (CID 3501561) is 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is WKDVVUWZBKSCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22-9-8-20(23(29)15-22)16-25-26-17-21-7-6-19(14-18-4-2-1-3-5-18)24(21)27-10-12-30-13-11-27/h1-5,8-9,14-17,28-29H,6-7,10-13H2.
What are the key properties of 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 403.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 3501561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).