1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea

C7H10N2O3 — CID 10725826

IUPAC1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(O)C(N)=O
InChIInChI=1S/C7H10N2O3/c1-5-6(2-3-12-5)4-9(11)7(8)10/h2-3,11H,4H2,1H3,(H2,8,10)
InChIKeyZRYFUVKPRAATQW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.86
Rot. Bonds2

About 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea

1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 10725826) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea
PubChem CID10725826
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(O)C(N)=O
InChIInChI=1S/C7H10N2O3/c1-5-6(2-3-12-5)4-9(11)7(8)10/h2-3,11H,4H2,1H3,(H2,8,10)
InChIKeyZRYFUVKPRAATQW-UHFFFAOYSA-N
XLogP0.86
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.86
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-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea (CID 10725826) is 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CN(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is ZRYFUVKPRAATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-6(2-3-12-5)4-9(11)7(8)10/h2-3,11H,4H2,1H3,(H2,8,10).
What are the key properties of 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea?
1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 170.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 10725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).