1,3-dimethylurea;toluene

C10H16N2O — CID 90242769

IUPAC1,3-dimethylurea;toluene
SMILESCNC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8N2O/c1-7-5-3-2-4-6-7;1-4-3(6)5-2/h2-6H,1H3;1-2H3,(H2,4,5,6)
InChIKeyOKEBVHQTPVYNQK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.54
Rot. Bonds

About 1,3-dimethylurea;toluene

1,3-dimethylurea;toluene (PubChem CID 90242769) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,3-dimethylurea;toluene.

Molecular Properties

Compound Name1,3-dimethylurea;toluene
PubChem CID90242769
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,3-dimethylurea;toluene
SMILESCNC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.C3H8N2O/c1-7-5-3-2-4-6-7;1-4-3(6)5-2/h2-6H,1H3;1-2H3,(H2,4,5,6)
InChIKeyOKEBVHQTPVYNQK-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;toluene?
The IUPAC name of 1,3-dimethylurea;toluene (CID 90242769) is 1,3-dimethylurea;toluene.
What is the SMILES notation for 1,3-dimethylurea;toluene?
The canonical SMILES for 1,3-dimethylurea;toluene is CNC(=O)NC.Cc1ccccc1.
What is the InChIKey of 1,3-dimethylurea;toluene?
The InChIKey is OKEBVHQTPVYNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H8N2O/c1-7-5-3-2-4-6-7;1-4-3(6)5-2/h2-6H,1H3;1-2H3,(H2,4,5,6).
What are the key properties of 1,3-dimethylurea;toluene?
1,3-dimethylurea;toluene has a molecular weight of 180.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;toluene is sourced from PubChem (CID 90242769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).