1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea

C10H10N4O2 — CID 137212579

IUPAC1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
SMILESO=C(NO)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4O2/c15-10(14-16)13-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-6,11,16H,(H2,13,14,15)
InChIKeyXHQMYUJDVJNEJU-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.19
Rot. Bonds2

About 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea

1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea (PubChem CID 137212579) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea.

Molecular Properties

Compound Name1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
PubChem CID137212579
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
SMILESO=C(NO)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4O2/c15-10(14-16)13-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-6,11,16H,(H2,13,14,15)
InChIKeyXHQMYUJDVJNEJU-UHFFFAOYSA-N
XLogP1.19
TPSA89.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea?
The IUPAC name of 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea (CID 137212579) is 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea.
What is the SMILES notation for 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea?
The canonical SMILES for 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea is O=C(NO)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea?
The InChIKey is XHQMYUJDVJNEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(14-16)13-12-6-7-5-11-9-4-2-1-3-8(7)9/h1-6,11,16H,(H2,13,14,15).
What are the key properties of 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea?
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea has a molecular weight of 218.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea is sourced from PubChem (CID 137212579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).