oxolan-2-ylmethylurea

C6H12N2O2 — CID 3680258

IUPACoxolan-2-ylmethylurea
SMILESNC(=O)NCC1CCCO1
InChIInChI=1S/C6H12N2O2/c7-6(9)8-4-5-2-1-3-10-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyWKCQWWYEUQLEJW-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.17
Rot. Bonds2

About oxolan-2-ylmethylurea

oxolan-2-ylmethylurea (PubChem CID 3680258) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is oxolan-2-ylmethylurea.

Molecular Properties

Compound Nameoxolan-2-ylmethylurea
PubChem CID3680258
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameoxolan-2-ylmethylurea
SMILESNC(=O)NCC1CCCO1
InChIInChI=1S/C6H12N2O2/c7-6(9)8-4-5-2-1-3-10-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyWKCQWWYEUQLEJW-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethylurea?
The IUPAC name of oxolan-2-ylmethylurea (CID 3680258) is oxolan-2-ylmethylurea.
What is the SMILES notation for oxolan-2-ylmethylurea?
The canonical SMILES for oxolan-2-ylmethylurea is NC(=O)NCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethylurea?
The InChIKey is WKCQWWYEUQLEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(9)8-4-5-2-1-3-10-5/h5H,1-4H2,(H3,7,8,9).
What are the key properties of oxolan-2-ylmethylurea?
oxolan-2-ylmethylurea has a molecular weight of 144.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethylurea is sourced from PubChem (CID 3680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).