1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea

C11H14N2O2 — CID 108910603

IUPAC1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
SMILESCC/C=C/NC(=O)Nc1ccccc1O
InChIInChI=1S/C11H14N2O2/c1-2-3-8-12-11(15)13-9-6-4-5-7-10(9)14/h3-8,14H,2H2,1H3,(H2,12,13,15)/b8-3+
InChIKeyNPEUUTFMQZOAOF-FPYGCLRLSA-N
MW206.25 g/mol
LogP2.44
Rot. Bonds3

About 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea

1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea (PubChem CID 108910603) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
PubChem CID108910603
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
SMILESCC/C=C/NC(=O)Nc1ccccc1O
InChIInChI=1S/C11H14N2O2/c1-2-3-8-12-11(15)13-9-6-4-5-7-10(9)14/h3-8,14H,2H2,1H3,(H2,12,13,15)/b8-3+
InChIKeyNPEUUTFMQZOAOF-FPYGCLRLSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-1-enyl]-3-(3-chloro-2-methylphenyl)urea
CID 108910518
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
1-[(E)-but-1-enyl]-3-ethylurea
CID 108910652
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
1-(4-bromo-3-methylphenyl)-3-[(E)-but-1-enyl]urea
CID 108910801
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 948231
1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108909998

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea (CID 108910603) is 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea is CC/C=C/NC(=O)Nc1ccccc1O.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is NPEUUTFMQZOAOF-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-8-12-11(15)13-9-6-4-5-7-10(9)14/h3-8,14H,2H2,1H3,(H2,12,13,15)/b8-3+.
What are the key properties of 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea?
1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 206.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108910603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).