1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea

C7H10N2O4 — CID 57198611

IUPAC1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea
SMILESNC(=O)N(O)C(CO)c1ccco1
InChIInChI=1S/C7H10N2O4/c8-7(11)9(12)5(4-10)6-2-1-3-13-6/h1-3,5,10,12H,4H2,(H2,8,11)
InChIKeyZAWZDJCHBIWJOJ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.08
Rot. Bonds3

About 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea

1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea (PubChem CID 57198611) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea
PubChem CID57198611
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea
SMILESNC(=O)N(O)C(CO)c1ccco1
InChIInChI=1S/C7H10N2O4/c8-7(11)9(12)5(4-10)6-2-1-3-13-6/h1-3,5,10,12H,4H2,(H2,8,11)
InChIKeyZAWZDJCHBIWJOJ-UHFFFAOYSA-N
XLogP0.08
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea (CID 57198611) is 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea is NC(=O)N(O)C(CO)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea?
The InChIKey is ZAWZDJCHBIWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-7(11)9(12)5(4-10)6-2-1-3-13-6/h1-3,5,10,12H,4H2,(H2,8,11).
What are the key properties of 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea?
1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea has a molecular weight of 186.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea is sourced from PubChem (CID 57198611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).