[(E)-4-phenylbut-3-en-2-yl]urea

C11H14N2O — CID 5310648

IUPAC[(E)-4-phenylbut-3-en-2-yl]urea
SMILESCC(/C=C/c1ccccc1)NC(N)=O
InChIInChI=1S/C11H14N2O/c1-9(13-11(12)14)7-8-10-5-3-2-4-6-10/h2-9H,1H3,(H3,12,13,14)/b8-7+
InChIKeyHIOJOGVCRSGDRQ-BQYQJAHWSA-N
MW190.25 g/mol
LogP1.76
Rot. Bonds3

About [(E)-4-phenylbut-3-en-2-yl]urea

[(E)-4-phenylbut-3-en-2-yl]urea (PubChem CID 5310648) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is [(E)-4-phenylbut-3-en-2-yl]urea.

Molecular Properties

Compound Name[(E)-4-phenylbut-3-en-2-yl]urea
PubChem CID5310648
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name[(E)-4-phenylbut-3-en-2-yl]urea
SMILESCC(/C=C/c1ccccc1)NC(N)=O
InChIInChI=1S/C11H14N2O/c1-9(13-11(12)14)7-8-10-5-3-2-4-6-10/h2-9H,1H3,(H3,12,13,14)/b8-7+
InChIKeyHIOJOGVCRSGDRQ-BQYQJAHWSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylbut-3-en-2-yl]urea?
The IUPAC name of [(E)-4-phenylbut-3-en-2-yl]urea (CID 5310648) is [(E)-4-phenylbut-3-en-2-yl]urea.
What is the SMILES notation for [(E)-4-phenylbut-3-en-2-yl]urea?
The canonical SMILES for [(E)-4-phenylbut-3-en-2-yl]urea is CC(/C=C/c1ccccc1)NC(N)=O.
What is the InChIKey of [(E)-4-phenylbut-3-en-2-yl]urea?
The InChIKey is HIOJOGVCRSGDRQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(13-11(12)14)7-8-10-5-3-2-4-6-10/h2-9H,1H3,(H3,12,13,14)/b8-7+.
What are the key properties of [(E)-4-phenylbut-3-en-2-yl]urea?
[(E)-4-phenylbut-3-en-2-yl]urea has a molecular weight of 190.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylbut-3-en-2-yl]urea is sourced from PubChem (CID 5310648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).