1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea

C9H14N2O3 — CID 10535951

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea
SMILESCc1cc(C(C)N(O)C(N)=O)c(C)o1
InChIInChI=1S/C9H14N2O3/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12)
InChIKeyUFGWNRDPRXMVCQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.73
Rot. Bonds2

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea (PubChem CID 10535951) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea
PubChem CID10535951
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea
SMILESCc1cc(C(C)N(O)C(N)=O)c(C)o1
InChIInChI=1S/C9H14N2O3/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12)
InChIKeyUFGWNRDPRXMVCQ-UHFFFAOYSA-N
XLogP1.73
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.73
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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Related Compounds

Furmecyclox
CID 43359
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
N-hydroxy-N-[1-(5-methyl-3-furyl)ethyl]urea
CID 10607535
N-hydroxy-N-[(2E)-1-methyl-3-(5-methyl-2-furyl)prop-2-enyl]urea
CID 10656046
N-hydroxy-N-[(2-methyl-3-furyl)methyl]urea
CID 10725826
N-1-(Fur-3-ylethyl)-N-hydroxyurea
CID 130007
1-(2,5-Dimethylfuran-3-yl)ethan-1-amine
CID 16768211
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081567
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpropanamide
CID 56765534
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopentanecarboxamide
CID 56765536
5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417674
1-((2,5-Dimethylfuran-3-yl)methyl)-3-((tetrahydrofuran-2-yl)methyl)urea
CID 91812822

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea (CID 10535951) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea is Cc1cc(C(C)N(O)C(N)=O)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea?
The InChIKey is UFGWNRDPRXMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea has a molecular weight of 198.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10535951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).