furan-2-ylmethylurea

C6H8N2O2 — CID 587724

IUPACfuran-2-ylmethylurea
SMILESNC(=O)NCc1ccco1
InChIInChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKeyAUHRREWMYVOMRT-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds2

About furan-2-ylmethylurea

furan-2-ylmethylurea (PubChem CID 587724) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is furan-2-ylmethylurea.

Molecular Properties

Compound Namefuran-2-ylmethylurea
PubChem CID587724
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namefuran-2-ylmethylurea
SMILESNC(=O)NCc1ccco1
InChIInChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKeyAUHRREWMYVOMRT-UHFFFAOYSA-N
XLogP0.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethylurea?
The IUPAC name of furan-2-ylmethylurea (CID 587724) is furan-2-ylmethylurea.
What is the SMILES notation for furan-2-ylmethylurea?
The canonical SMILES for furan-2-ylmethylurea is NC(=O)NCc1ccco1.
What is the InChIKey of furan-2-ylmethylurea?
The InChIKey is AUHRREWMYVOMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9).
What are the key properties of furan-2-ylmethylurea?
furan-2-ylmethylurea has a molecular weight of 140.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethylurea is sourced from PubChem (CID 587724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).