styrene;urea

C9H12N2O — CID 23043454

IUPACstyrene;urea
SMILESC=Cc1ccccc1.NC(N)=O
InChIInChI=1S/C8H8.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h2-7H,1H2;(H4,2,3,4)
InChIKeyBTGRBCRFFBKBTK-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.35
Rot. Bonds1

About styrene;urea

styrene;urea (PubChem CID 23043454) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is styrene;urea.

Molecular Properties

Compound Namestyrene;urea
PubChem CID23043454
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Namestyrene;urea
SMILESC=Cc1ccccc1.NC(N)=O
InChIInChI=1S/C8H8.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h2-7H,1H2;(H4,2,3,4)
InChIKeyBTGRBCRFFBKBTK-UHFFFAOYSA-N
XLogP1.35
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of styrene;urea?
The IUPAC name of styrene;urea (CID 23043454) is styrene;urea.
What is the SMILES notation for styrene;urea?
The canonical SMILES for styrene;urea is C=Cc1ccccc1.NC(N)=O.
What is the InChIKey of styrene;urea?
The InChIKey is BTGRBCRFFBKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH4N2O/c1-2-8-6-4-3-5-7-8;2-1(3)4/h2-7H,1H2;(H4,2,3,4).
What are the key properties of styrene;urea?
styrene;urea has a molecular weight of 164.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;urea is sourced from PubChem (CID 23043454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).