1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea

C11H18N2O3 — CID 10513430

IUPAC1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea
SMILESCCCCc1ccc(C(C)N(O)C(N)=O)o1
InChIInChI=1S/C11H18N2O3/c1-3-4-5-9-6-7-10(16-9)8(2)13(15)11(12)14/h6-8,15H,3-5H2,1-2H3,(H2,12,14)
InChIKeyYZFZZHNVTXWCDD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.45
Rot. Bonds5

About 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea

1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea (PubChem CID 10513430) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea
PubChem CID10513430
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea
SMILESCCCCc1ccc(C(C)N(O)C(N)=O)o1
InChIInChI=1S/C11H18N2O3/c1-3-4-5-9-6-7-10(16-9)8(2)13(15)11(12)14/h6-8,15H,3-5H2,1-2H3,(H2,12,14)
InChIKeyYZFZZHNVTXWCDD-UHFFFAOYSA-N
XLogP2.45
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.45
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-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea (CID 10513430) is 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea is CCCCc1ccc(C(C)N(O)C(N)=O)o1.
What is the InChIKey of 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is YZFZZHNVTXWCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-5-9-6-7-10(16-9)8(2)13(15)11(12)14/h6-8,15H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea?
1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 226.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-butylfuran-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10513430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).