prop-1-en-2-ylbenzene;urea

C11H18N4O2 — CID 19899312

IUPACprop-1-en-2-ylbenzene;urea
SMILESC=C(C)c1ccccc1.NC(N)=O.NC(N)=O
InChIInChI=1S/C9H10.2CH4N2O/c1-8(2)9-6-4-3-5-7-9;2*2-1(3)4/h3-7H,1H2,2H3;2*(H4,2,3,4)
InChIKeyPIOPQUDZBXRITN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds1

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

prop-1-en-2-ylbenzene;urea (PubChem CID 19899312) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is prop-1-en-2-ylbenzene;urea.

Molecular Properties

Compound Nameprop-1-en-2-ylbenzene;urea
PubChem CID19899312
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameprop-1-en-2-ylbenzene;urea
SMILESC=C(C)c1ccccc1.NC(N)=O.NC(N)=O
InChIInChI=1S/C9H10.2CH4N2O/c1-8(2)9-6-4-3-5-7-9;2*2-1(3)4/h3-7H,1H2,2H3;2*(H4,2,3,4)
InChIKeyPIOPQUDZBXRITN-UHFFFAOYSA-N
XLogP0.77
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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 19899312) 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.NC(N)=O.
What is the InChIKey of prop-1-en-2-ylbenzene;urea?
The InChIKey is PIOPQUDZBXRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2CH4N2O/c1-8(2)9-6-4-3-5-7-9;2*2-1(3)4/h3-7H,1H2,2H3;2*(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 238.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylbenzene;urea is sourced from PubChem (CID 19899312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).