[(E)-naphthalen-1-ylmethylideneamino]urea

C12H11N3O — CID 6898769

IUPAC[(E)-naphthalen-1-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12(16)15-14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyPGGDPZZBYGQPGJ-RIYZIHGNSA-N
MW213.24 g/mol
LogP1.84
Rot. Bonds2

About [(E)-naphthalen-1-ylmethylideneamino]urea

[(E)-naphthalen-1-ylmethylideneamino]urea (PubChem CID 6898769) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is [(E)-naphthalen-1-ylmethylideneamino]urea.

Molecular Properties

Compound Name[(E)-naphthalen-1-ylmethylideneamino]urea
PubChem CID6898769
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name[(E)-naphthalen-1-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C12H11N3O/c13-12(16)15-14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyPGGDPZZBYGQPGJ-RIYZIHGNSA-N
XLogP1.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [(E)-naphthalen-1-ylmethylideneamino]urea?
The IUPAC name of [(E)-naphthalen-1-ylmethylideneamino]urea (CID 6898769) is [(E)-naphthalen-1-ylmethylideneamino]urea.
What is the SMILES notation for [(E)-naphthalen-1-ylmethylideneamino]urea?
The canonical SMILES for [(E)-naphthalen-1-ylmethylideneamino]urea is NC(=O)N/N=C/c1cccc2ccccc12.
What is the InChIKey of [(E)-naphthalen-1-ylmethylideneamino]urea?
The InChIKey is PGGDPZZBYGQPGJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12(16)15-14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H3,13,15,16)/b14-8+.
What are the key properties of [(E)-naphthalen-1-ylmethylideneamino]urea?
[(E)-naphthalen-1-ylmethylideneamino]urea has a molecular weight of 213.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-naphthalen-1-ylmethylideneamino]urea is sourced from PubChem (CID 6898769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).