ethylbenzene;urea

C9H14N2O — CID 19774738

IUPACethylbenzene;urea
SMILESCCc1ccccc1.NC(N)=O
InChIInChI=1S/C8H10.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h3-7H,2H2,1H3;(H4,2,3,4)
InChIKeyQEDXXWPRRDUBTB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds1

About ethylbenzene;urea

ethylbenzene;urea (PubChem CID 19774738) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethylbenzene;urea.

Molecular Properties

Compound Nameethylbenzene;urea
PubChem CID19774738
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethylbenzene;urea
SMILESCCc1ccccc1.NC(N)=O
InChIInChI=1S/C8H10.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h3-7H,2H2,1H3;(H4,2,3,4)
InChIKeyQEDXXWPRRDUBTB-UHFFFAOYSA-N
XLogP1.27
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;urea?
The IUPAC name of ethylbenzene;urea (CID 19774738) is ethylbenzene;urea.
What is the SMILES notation for ethylbenzene;urea?
The canonical SMILES for ethylbenzene;urea is CCc1ccccc1.NC(N)=O.
What is the InChIKey of ethylbenzene;urea?
The InChIKey is QEDXXWPRRDUBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h3-7H,2H2,1H3;(H4,2,3,4).
What are the key properties of ethylbenzene;urea?
ethylbenzene;urea has a molecular weight of 166.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;urea is sourced from PubChem (CID 19774738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).