[(6-hydroxynaphthalen-2-yl)methylideneamino]urea

C12H11N3O2 — CID 168531736

IUPAC[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H11N3O2/c13-12(17)15-14-7-8-1-2-10-6-11(16)4-3-9(10)5-8/h1-7,16H,(H3,13,15,17)
InChIKeyAILFPOHYTOQLPY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.55
Rot. Bonds2

About [(6-hydroxynaphthalen-2-yl)methylideneamino]urea

[(6-hydroxynaphthalen-2-yl)methylideneamino]urea (PubChem CID 168531736) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [(6-hydroxynaphthalen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
PubChem CID168531736
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C12H11N3O2/c13-12(17)15-14-7-8-1-2-10-6-11(16)4-3-9(10)5-8/h1-7,16H,(H3,13,15,17)
InChIKeyAILFPOHYTOQLPY-UHFFFAOYSA-N
XLogP1.55
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methanehydrazonoylnaphthalen-2-ol
CID 168529018
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea
CID 6298566
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
[(E)-benzylideneamino]urea
CID 6861419
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
CID 9120780
[(3,4-dinitrophenyl)methylideneamino]urea
CID 168533904
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835

Frequently Asked Questions

What is the IUPAC name of [(6-hydroxynaphthalen-2-yl)methylideneamino]urea?
The IUPAC name of [(6-hydroxynaphthalen-2-yl)methylideneamino]urea (CID 168531736) is [(6-hydroxynaphthalen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(6-hydroxynaphthalen-2-yl)methylideneamino]urea?
The canonical SMILES for [(6-hydroxynaphthalen-2-yl)methylideneamino]urea is NC(=O)NN=Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of [(6-hydroxynaphthalen-2-yl)methylideneamino]urea?
The InChIKey is AILFPOHYTOQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(17)15-14-7-8-1-2-10-6-11(16)4-3-9(10)5-8/h1-7,16H,(H3,13,15,17).
What are the key properties of [(6-hydroxynaphthalen-2-yl)methylideneamino]urea?
[(6-hydroxynaphthalen-2-yl)methylideneamino]urea has a molecular weight of 229.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-hydroxynaphthalen-2-yl)methylideneamino]urea is sourced from PubChem (CID 168531736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).