formaldehyde;toluene;urea

C9H14N2O2 — CID 67705858

IUPACformaldehyde;toluene;urea
SMILESC=O.Cc1ccccc1.NC(N)=O
InChIInChI=1S/C7H8.CH4N2O.CH2O/c1-7-5-3-2-4-6-7;2-1(3)4;1-2/h2-6H,1H3;(H4,2,3,4);1H2
InChIKeyRKGTUIFTGLPPHH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.83
Rot. Bonds

About formaldehyde;toluene;urea

formaldehyde;toluene;urea (PubChem CID 67705858) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is formaldehyde;toluene;urea.

Molecular Properties

Compound Nameformaldehyde;toluene;urea
PubChem CID67705858
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameformaldehyde;toluene;urea
SMILESC=O.Cc1ccccc1.NC(N)=O
InChIInChI=1S/C7H8.CH4N2O.CH2O/c1-7-5-3-2-4-6-7;2-1(3)4;1-2/h2-6H,1H3;(H4,2,3,4);1H2
InChIKeyRKGTUIFTGLPPHH-UHFFFAOYSA-N
XLogP0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;toluene;urea?
The IUPAC name of formaldehyde;toluene;urea (CID 67705858) is formaldehyde;toluene;urea.
What is the SMILES notation for formaldehyde;toluene;urea?
The canonical SMILES for formaldehyde;toluene;urea is C=O.Cc1ccccc1.NC(N)=O.
What is the InChIKey of formaldehyde;toluene;urea?
The InChIKey is RKGTUIFTGLPPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH4N2O.CH2O/c1-7-5-3-2-4-6-7;2-1(3)4;1-2/h2-6H,1H3;(H4,2,3,4);1H2.
What are the key properties of formaldehyde;toluene;urea?
formaldehyde;toluene;urea has a molecular weight of 182.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;toluene;urea is sourced from PubChem (CID 67705858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).