1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea

C8H12N2O3 — CID 10487728

IUPAC1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)N(O)C(N)=O)o1
InChIInChI=1S/C8H12N2O3/c1-5-3-4-7(13-5)6(2)10(12)8(9)11/h3-4,6,12H,1-2H3,(H2,9,11)
InChIKeyNPEPKUYRLBWTCB-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.42
Rot. Bonds2

About 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea

1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 10487728) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID10487728
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)N(O)C(N)=O)o1
InChIInChI=1S/C8H12N2O3/c1-5-3-4-7(13-5)6(2)10(12)8(9)11/h3-4,6,12H,1-2H3,(H2,9,11)
InChIKeyNPEPKUYRLBWTCB-UHFFFAOYSA-N
XLogP1.42
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.42
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-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea (CID 10487728) is 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)N(O)C(N)=O)o1.
What is the InChIKey of 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is NPEPKUYRLBWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-3-4-7(13-5)6(2)10(12)8(9)11/h3-4,6,12H,1-2H3,(H2,9,11).
What are the key properties of 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea?
1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 184.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 10487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).