1,1,3-trimethylurea

C4H10N2O — CID 12435

IUPAC1,1,3-trimethylurea
SMILESCNC(=O)N(C)C
InChIInChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
InChIKeyCOSWCAGTKRUTQV-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.11
Rot. Bonds

About 1,1,3-trimethylurea

1,1,3-trimethylurea (PubChem CID 12435) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 1,1,3-trimethylurea.

Molecular Properties

Compound Name1,1,3-trimethylurea
PubChem CID12435
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name1,1,3-trimethylurea
SMILESCNC(=O)N(C)C
InChIInChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
InChIKeyCOSWCAGTKRUTQV-UHFFFAOYSA-N
XLogP-0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethylurea?
The IUPAC name of 1,1,3-trimethylurea (CID 12435) is 1,1,3-trimethylurea.
What is the SMILES notation for 1,1,3-trimethylurea?
The canonical SMILES for 1,1,3-trimethylurea is CNC(=O)N(C)C.
What is the InChIKey of 1,1,3-trimethylurea?
The InChIKey is COSWCAGTKRUTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7).
What are the key properties of 1,1,3-trimethylurea?
1,1,3-trimethylurea has a molecular weight of 102.14 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethylurea is sourced from PubChem (CID 12435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).