hydroxyurea;1H-indole

C9H11N3O2 — CID 19379049

IUPAChydroxyurea;1H-indole
SMILESNC(=O)NO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH4N2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1(4)3-5/h1-6,9H;5H,(H3,2,3,4)
InChIKeyDFIWPZCPDJDKLF-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.21
Rot. Bonds

About hydroxyurea;1H-indole

hydroxyurea;1H-indole (PubChem CID 19379049) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is hydroxyurea;1H-indole.

Molecular Properties

Compound Namehydroxyurea;1H-indole
PubChem CID19379049
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namehydroxyurea;1H-indole
SMILESNC(=O)NO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH4N2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1(4)3-5/h1-6,9H;5H,(H3,2,3,4)
InChIKeyDFIWPZCPDJDKLF-UHFFFAOYSA-N
XLogP1.21
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 hydroxyurea;1H-indole?
The IUPAC name of hydroxyurea;1H-indole (CID 19379049) is hydroxyurea;1H-indole.
What is the SMILES notation for hydroxyurea;1H-indole?
The canonical SMILES for hydroxyurea;1H-indole is NC(=O)NO.c1ccc2[nH]ccc2c1.
What is the InChIKey of hydroxyurea;1H-indole?
The InChIKey is DFIWPZCPDJDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.CH4N2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1(4)3-5/h1-6,9H;5H,(H3,2,3,4).
What are the key properties of hydroxyurea;1H-indole?
hydroxyurea;1H-indole has a molecular weight of 193.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyurea;1H-indole is sourced from PubChem (CID 19379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).