prop-1-en-2-ylbenzene;urea

C10H14N2O — CID 86745846

IUPACprop-1-en-2-ylbenzene;urea
SMILESC=C(C)c1ccccc1.NC(N)=O
InChIInChI=1S/C9H10.CH4N2O/c1-8(2)9-6-4-3-5-7-9;2-1(3)4/h3-7H,1H2,2H3;(H4,2,3,4)
InChIKeyYPDBYXLBDMJLHO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds1

About prop-1-en-2-ylbenzene;urea

prop-1-en-2-ylbenzene;urea (PubChem CID 86745846) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is prop-1-en-2-ylbenzene;urea.

Molecular Properties

Compound Nameprop-1-en-2-ylbenzene;urea
PubChem CID86745846
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameprop-1-en-2-ylbenzene;urea
SMILESC=C(C)c1ccccc1.NC(N)=O
InChIInChI=1S/C9H10.CH4N2O/c1-8(2)9-6-4-3-5-7-9;2-1(3)4/h3-7H,1H2,2H3;(H4,2,3,4)
InChIKeyYPDBYXLBDMJLHO-UHFFFAOYSA-N
XLogP1.74
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylbenzene;urea?
The IUPAC name of prop-1-en-2-ylbenzene;urea (CID 86745846) is prop-1-en-2-ylbenzene;urea.
What is the SMILES notation for prop-1-en-2-ylbenzene;urea?
The canonical SMILES for prop-1-en-2-ylbenzene;urea is C=C(C)c1ccccc1.NC(N)=O.
What is the InChIKey of prop-1-en-2-ylbenzene;urea?
The InChIKey is YPDBYXLBDMJLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.CH4N2O/c1-8(2)9-6-4-3-5-7-9;2-1(3)4/h3-7H,1H2,2H3;(H4,2,3,4).
What are the key properties of prop-1-en-2-ylbenzene;urea?
prop-1-en-2-ylbenzene;urea has a molecular weight of 178.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylbenzene;urea is sourced from PubChem (CID 86745846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).