1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea

C9H10N2O3 — CID 10559708

IUPAC1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea
SMILESCC(C#Cc1ccco1)N(O)C(N)=O
InChIInChI=1S/C9H10N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-3,6-7,13H,1H3,(H2,10,12)
InChIKeyXNZJITNOOLAVMB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.79
Rot. Bonds1

About 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea

1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea (PubChem CID 10559708) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea
PubChem CID10559708
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea
SMILESCC(C#Cc1ccco1)N(O)C(N)=O
InChIInChI=1S/C9H10N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-3,6-7,13H,1H3,(H2,10,12)
InChIKeyXNZJITNOOLAVMB-UHFFFAOYSA-N
XLogP0.79
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.79
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea?
The IUPAC name of 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea (CID 10559708) is 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea?
The canonical SMILES for 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea is CC(C#Cc1ccco1)N(O)C(N)=O.
What is the InChIKey of 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea?
The InChIKey is XNZJITNOOLAVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-3,6-7,13H,1H3,(H2,10,12).
What are the key properties of 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea?
1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea has a molecular weight of 194.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)but-3-yn-2-yl]-1-hydroxyurea is sourced from PubChem (CID 10559708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).