1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea

C12H13ClN2O — CID 108908546

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-8-14-12(16)15-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/b8-7+
InChIKeyUFDOOSRFFQZOJP-BQYQJAHWSA-N
MW236.70 g/mol
LogP2.77
Rot. Bonds3

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea (PubChem CID 108908546) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
PubChem CID108908546
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-8-14-12(16)15-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/b8-7+
InChIKeyUFDOOSRFFQZOJP-BQYQJAHWSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 108908483
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907370
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108908076
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea (CID 108908546) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea is O=C(N/C=C/c1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea?
The InChIKey is UFDOOSRFFQZOJP-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-8-14-12(16)15-11-5-6-11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/b8-7+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea has a molecular weight of 236.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea is sourced from PubChem (CID 108908546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).