toluene;urea

C8H12N2O — CID 67005065

IUPACtoluene;urea
SMILESCc1ccccc1.NC(N)=O
InChIInChI=1S/C7H8.CH4N2O/c1-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H4,2,3,4)
InChIKeyINTYEFRIQNNXFW-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.02
Rot. Bonds

About toluene;urea

toluene;urea (PubChem CID 67005065) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is toluene;urea.

Molecular Properties

Compound Nametoluene;urea
PubChem CID67005065
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nametoluene;urea
SMILESCc1ccccc1.NC(N)=O
InChIInChI=1S/C7H8.CH4N2O/c1-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H4,2,3,4)
InChIKeyINTYEFRIQNNXFW-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of toluene;urea?
The IUPAC name of toluene;urea (CID 67005065) is toluene;urea.
What is the SMILES notation for toluene;urea?
The canonical SMILES for toluene;urea is Cc1ccccc1.NC(N)=O.
What is the InChIKey of toluene;urea?
The InChIKey is INTYEFRIQNNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH4N2O/c1-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H4,2,3,4).
What are the key properties of toluene;urea?
toluene;urea has a molecular weight of 152.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;urea is sourced from PubChem (CID 67005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).