oxan-3-ylurea

C6H12N2O2 — CID 63363971

IUPACoxan-3-ylurea
SMILESNC(=O)NC1CCCOC1
InChIInChI=1S/C6H12N2O2/c7-6(9)8-5-2-1-3-10-4-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyCKCVWQWIEOQJFO-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.17
Rot. Bonds1

About oxan-3-ylurea

oxan-3-ylurea (PubChem CID 63363971) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is oxan-3-ylurea.

Molecular Properties

Compound Nameoxan-3-ylurea
PubChem CID63363971
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameoxan-3-ylurea
SMILESNC(=O)NC1CCCOC1
InChIInChI=1S/C6H12N2O2/c7-6(9)8-5-2-1-3-10-4-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyCKCVWQWIEOQJFO-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 oxan-3-ylurea?
The IUPAC name of oxan-3-ylurea (CID 63363971) is oxan-3-ylurea.
What is the SMILES notation for oxan-3-ylurea?
The canonical SMILES for oxan-3-ylurea is NC(=O)NC1CCCOC1.
What is the InChIKey of oxan-3-ylurea?
The InChIKey is CKCVWQWIEOQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(9)8-5-2-1-3-10-4-5/h5H,1-4H2,(H3,7,8,9).
What are the key properties of oxan-3-ylurea?
oxan-3-ylurea has a molecular weight of 144.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylurea is sourced from PubChem (CID 63363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).