[(2-hydroxynaphthalen-1-yl)methylideneamino]urea

C12H11N3O2 — CID 2304897

IUPAC[(2-hydroxynaphthalen-1-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C12H11N3O2/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16/h1-7,16H,(H3,13,15,17)
InChIKeyVWXAGXAZEDGCJS-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.55
Rot. Bonds2

About [(2-hydroxynaphthalen-1-yl)methylideneamino]urea

[(2-hydroxynaphthalen-1-yl)methylideneamino]urea (PubChem CID 2304897) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [(2-hydroxynaphthalen-1-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(2-hydroxynaphthalen-1-yl)methylideneamino]urea
PubChem CID2304897
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[(2-hydroxynaphthalen-1-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C12H11N3O2/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16/h1-7,16H,(H3,13,15,17)
InChIKeyVWXAGXAZEDGCJS-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': 'hzone_phenol_A(479)', '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-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
2-allyl-3-[[(Z)-(2-keto-1-naphthylidene)methyl]amino]isothiourea
CID 135650615
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
1,3-bis[(E)-(3-hydroxyphenyl)methylideneamino]urea
CID 9584598
1,5-Bis(salicylidene)carbohydrazide
CID 96015
N'-[(2-hydroxy-1-naphthyl)methylene]-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458990
2-((2-Hydroxynaphthalen-1-yl)methylene)-N,N-dimethylhydrazine-1-carbothioamide
CID 135482104
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
(E)-N-Hydroxy-7-(2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinyl)-7-oxoheptanamide
CID 135922679

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The IUPAC name of [(2-hydroxynaphthalen-1-yl)methylideneamino]urea (CID 2304897) is [(2-hydroxynaphthalen-1-yl)methylideneamino]urea.
What is the SMILES notation for [(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The canonical SMILES for [(2-hydroxynaphthalen-1-yl)methylideneamino]urea is NC(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of [(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The InChIKey is VWXAGXAZEDGCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16/h1-7,16H,(H3,13,15,17).
What are the key properties of [(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
[(2-hydroxynaphthalen-1-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 [(2-hydroxynaphthalen-1-yl)methylideneamino]urea is sourced from PubChem (CID 2304897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).