1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea

C13H16N2O — CID 108905502

IUPAC1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C/c1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-3-8-14-13(16)15-9-7-12-6-4-5-11(2)10-12/h3-7,9-10H,1,8H2,2H3,(H2,14,15,16)/b9-7+
InChIKeyMVQSDWFIMRWNFI-VQHVLOKHSA-N
MW216.28 g/mol
LogP2.45
Rot. Bonds4

About 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea

1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea (PubChem CID 108905502) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
PubChem CID108905502
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N/C=C/c1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-3-8-14-13(16)15-9-7-12-6-4-5-11(2)10-12/h3-7,9-10H,1,8H2,2H3,(H2,14,15,16)/b9-7+
InChIKeyMVQSDWFIMRWNFI-VQHVLOKHSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
N'-[(3-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 15945666
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905609

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea (CID 108905502) is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea is C=CCNC(=O)N/C=C/c1cccc(C)c1.
What is the InChIKey of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea?
The InChIKey is MVQSDWFIMRWNFI-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-8-14-13(16)15-9-7-12-6-4-5-11(2)10-12/h3-7,9-10H,1,8H2,2H3,(H2,14,15,16)/b9-7+.
What are the key properties of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea?
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea has a molecular weight of 216.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea is sourced from PubChem (CID 108905502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).