[(E)-1H-indol-3-ylmethylideneamino]urea

C10H10N4O — CID 135400534

IUPAC[(E)-1H-indol-3-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4O/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+
InChIKeyAIKKFQKQKUGAQA-AWNIVKPZSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds2

About [(E)-1H-indol-3-ylmethylideneamino]urea

[(E)-1H-indol-3-ylmethylideneamino]urea (PubChem CID 135400534) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is [(E)-1H-indol-3-ylmethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1H-indol-3-ylmethylideneamino]urea
PubChem CID135400534
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name[(E)-1H-indol-3-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4O/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+
InChIKeyAIKKFQKQKUGAQA-AWNIVKPZSA-N
XLogP1.17
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.17
H-Bond Donors ≤ 53
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)-1H-indol-3-ylmethylideneamino]urea?
The IUPAC name of [(E)-1H-indol-3-ylmethylideneamino]urea (CID 135400534) is [(E)-1H-indol-3-ylmethylideneamino]urea.
What is the SMILES notation for [(E)-1H-indol-3-ylmethylideneamino]urea?
The canonical SMILES for [(E)-1H-indol-3-ylmethylideneamino]urea is NC(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of [(E)-1H-indol-3-ylmethylideneamino]urea?
The InChIKey is AIKKFQKQKUGAQA-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+.
What are the key properties of [(E)-1H-indol-3-ylmethylideneamino]urea?
[(E)-1H-indol-3-ylmethylideneamino]urea has a molecular weight of 202.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1H-indol-3-ylmethylideneamino]urea is sourced from PubChem (CID 135400534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).