[(3,4-dihydroxyphenyl)methylideneamino]urea

C8H9N3O3 — CID 3608193

IUPAC[(3,4-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)7(13)3-5/h1-4,12-13H,(H3,9,11,14)
InChIKeyQJFMBOXKBDJWJZ-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.10
Rot. Bonds2

About [(3,4-dihydroxyphenyl)methylideneamino]urea

[(3,4-dihydroxyphenyl)methylideneamino]urea (PubChem CID 3608193) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [(3,4-dihydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3,4-dihydroxyphenyl)methylideneamino]urea
PubChem CID3608193
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[(3,4-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)7(13)3-5/h1-4,12-13H,(H3,9,11,14)
InChIKeyQJFMBOXKBDJWJZ-UHFFFAOYSA-N
XLogP0.10
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
4-Hydroxybenzaldehyde thiosemicarbazone
CID 135408731
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
(4Z)-2-hydroxy-4-[[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421639
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
[[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
CID 135455078
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
1,3-bis[(E)-(3-hydroxyphenyl)methylideneamino]urea
CID 9584598
N'',N'''-Bis[(E)-1-(3,4-dihydroxyphenyl)methylidene]carbonic dihydrazide
CID 135420153
N'-(3,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135543352
3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone
CID 6870649
1,5-Bis(salicylidene)carbohydrazide
CID 96015

Frequently Asked Questions

What is the IUPAC name of [(3,4-dihydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(3,4-dihydroxyphenyl)methylideneamino]urea (CID 3608193) is [(3,4-dihydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(3,4-dihydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(3,4-dihydroxyphenyl)methylideneamino]urea is NC(=O)NN=Cc1ccc(O)c(O)c1.
What is the InChIKey of [(3,4-dihydroxyphenyl)methylideneamino]urea?
The InChIKey is QJFMBOXKBDJWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)7(13)3-5/h1-4,12-13H,(H3,9,11,14).
What are the key properties of [(3,4-dihydroxyphenyl)methylideneamino]urea?
[(3,4-dihydroxyphenyl)methylideneamino]urea has a molecular weight of 195.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dihydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 3608193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).