1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea

C8H12N2O3 — CID 10726150

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea
SMILESCc1cc(CN(O)C(N)=O)c(C)o1
InChIInChI=1S/C8H12N2O3/c1-5-3-7(6(2)13-5)4-10(12)8(9)11/h3,12H,4H2,1-2H3,(H2,9,11)
InChIKeyQKCSKSHHLYJUBY-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.17
Rot. Bonds2

About 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea

1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea (PubChem CID 10726150) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea
PubChem CID10726150
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea
SMILESCc1cc(CN(O)C(N)=O)c(C)o1
InChIInChI=1S/C8H12N2O3/c1-5-3-7(6(2)13-5)4-10(12)8(9)11/h3,12H,4H2,1-2H3,(H2,9,11)
InChIKeyQKCSKSHHLYJUBY-UHFFFAOYSA-N
XLogP1.17
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea (CID 10726150) is 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea is Cc1cc(CN(O)C(N)=O)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea?
The InChIKey is QKCSKSHHLYJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-3-7(6(2)13-5)4-10(12)8(9)11/h3,12H,4H2,1-2H3,(H2,9,11).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea?
1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea has a molecular weight of 184.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-1-hydroxyurea is sourced from PubChem (CID 10726150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).