1-(furan-3-ylmethyl)-1-hydroxyurea

C6H8N2O3 — CID 10749417

IUPAC1-(furan-3-ylmethyl)-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccoc1
InChIInChI=1S/C6H8N2O3/c7-6(9)8(10)3-5-1-2-11-4-5/h1-2,4,10H,3H2,(H2,7,9)
InChIKeyDVVJXNXFFXLFAB-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.55
Rot. Bonds2

About 1-(furan-3-ylmethyl)-1-hydroxyurea

1-(furan-3-ylmethyl)-1-hydroxyurea (PubChem CID 10749417) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-1-hydroxyurea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-1-hydroxyurea
PubChem CID10749417
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-(furan-3-ylmethyl)-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccoc1
InChIInChI=1S/C6H8N2O3/c7-6(9)8(10)3-5-1-2-11-4-5/h1-2,4,10H,3H2,(H2,7,9)
InChIKeyDVVJXNXFFXLFAB-UHFFFAOYSA-N
XLogP0.55
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.55
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-(furan-3-ylmethyl)-1-hydroxyurea?
The IUPAC name of 1-(furan-3-ylmethyl)-1-hydroxyurea (CID 10749417) is 1-(furan-3-ylmethyl)-1-hydroxyurea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-1-hydroxyurea?
The canonical SMILES for 1-(furan-3-ylmethyl)-1-hydroxyurea is NC(=O)N(O)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-1-hydroxyurea?
The InChIKey is DVVJXNXFFXLFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c7-6(9)8(10)3-5-1-2-11-4-5/h1-2,4,10H,3H2,(H2,7,9).
What are the key properties of 1-(furan-3-ylmethyl)-1-hydroxyurea?
1-(furan-3-ylmethyl)-1-hydroxyurea has a molecular weight of 156.14 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-1-hydroxyurea is sourced from PubChem (CID 10749417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).