1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea

C11H16N2O3 — CID 18646412

IUPAC1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESCCc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)o1
InChIInChI=1S/C11H16N2O3/c1-2-8-3-4-10(16-8)9-5-7(9)6-13(15)11(12)14/h3-4,7,9,15H,2,5-6H2,1H3,(H2,12,14)/t7-,9+/m0/s1
InChIKeyJQLJDQBMUYWAOF-IONNQARKSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds4

About 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea

1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 18646412) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
PubChem CID18646412
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESCCc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)o1
InChIInChI=1S/C11H16N2O3/c1-2-8-3-4-10(16-8)9-5-7(9)6-13(15)11(12)14/h3-4,7,9,15H,2,5-6H2,1H3,(H2,12,14)/t7-,9+/m0/s1
InChIKeyJQLJDQBMUYWAOF-IONNQARKSA-N
XLogP1.72
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
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-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea (CID 18646412) is 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea is CCc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)o1.
What is the InChIKey of 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is JQLJDQBMUYWAOF-IONNQARKSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-8-3-4-10(16-8)9-5-7(9)6-13(15)11(12)14/h3-4,7,9,15H,2,5-6H2,1H3,(H2,12,14)/t7-,9+/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 224.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(5-ethylfuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 18646412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).